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   Atoms and molecules.
      Electronic shells of molecules.
         Energy states and transitions.
Photophysical properties and excited state dynamics of 4,7-dithien-2-yl-2,1,3-benzothiadiazole
Alessandro Iagatti, Barbara Patrizi, Andrea Basagni, Agnese Marcelli, Andrea Alessi, Stefano Zanardi, Roberto Fusco, Mario Salvalaggio, Laura Bussotti and Paolo Foggi
Phys. Chem. Chem. Phys., Vol: 19, No: 21 , published: 13 June 2018
Interference through the resonant Auger process via multiple core-excited states
Souvik Chatterjee and Takashi Nakajima
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 06 December 2017
Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory
David N. Bowman, Jason C. Asher, Sean A. Fischer, Christopher J. Cramer and Niranjan Govind
Phys. Chem. Chem. Phys., Vol: 19, No: 40 , published: 28 October 2017
Excited-states of a rhenium carbonyl diimine complex: solvation models, spin–orbit coupling, and vibrational sampling effects
Sebastian Mai, Hugo Gattuso, Maria Fumanal, Aurora Muñoz-Losa, Antonio Monari, Chantal Daniel and Leticia González
Phys. Chem. Chem. Phys., Vol: 19, No: 40 , published: 28 October 2017
Theoretical illumination of highly original photoreactive 3MC states and the mechanism of the photochemistry of Ru(II) tris(bidentate) complexes
Isabelle M. Dixon, Jean-Louis Heully, Fabienne Alary and Paul I. P. Elliott
Phys. Chem. Chem. Phys., Vol: 19, No: 40 , published: 28 October 2017
Hyperfine structure of alkali-metal diatomic molecules
Jesus Aldegunde and Jeremy M. Hutson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 27 October 2017
Optical and magnetic properties of antiaromatic porphyrinoids
Rashid R. Valiev, Heike Fliegl and Dage Sundholm
Phys. Chem. Chem. Phys., Vol: 19, No: 38 , published: 14 October 2017
An assessment of the random-phase approximation functional and characteristics analysis for noncovalent cation–π interactions
He Su, Qiyang Wu, Hongyan Wang and Hui Wang
Phys. Chem. Chem. Phys., Vol: 19, No: 38 , published: 14 October 2017
Sodium-cationized carbohydrate gas-phase fragmentation chemistry: influence of glycosidic linkage position
Jordan M. Rabus, Maha T. Abutokaikah, Reginald T. Ross and Benjamin J. Bythell
Phys. Chem. Chem. Phys., Vol: 19, No: 37 , published: 07 October 2017
Augmented pH-sensitivity absorbance of a ruthenium(II) bis(bipyridine) complex with elongation of the conjugated ligands: an experimental and theoretical investigation
Siew San Tan, Susumu Yanagisawa, Kouji Inagaki, Yoshitada Morikawa and Mohammad B. Kassim
Phys. Chem. Chem. Phys., Vol: 19, No: 37 , published: 07 October 2017
Prediction of hypervalent molecules: investigation on MnC (M = Li, Na, K, Rb and Cs; n = 1–8) clusters
Peng Shao, Bo-Le Chen, Li Ping Ding, Dao-Bin Luo, Cheng Lu and Xiao-Yu Kuang
Phys. Chem. Chem. Phys., Vol: 19, No: 37 , published: 07 October 2017
Remarkable nonlinear optical response of excess electron compounds: theoretically designed alkali-doped aziridine M–(C2NH5)n
Bo Li, Chao Xu, Xuan Xu, Chaoyuan Zhu and Feng Long Gu
Phys. Chem. Chem. Phys., Vol: 19, No: 35 , published: 21 September 2017
Low-lying, Rydberg states of polycyclic aromatic hydrocarbons (PAHs) and cyclic alkanes
E. Bohl, B. Mignolet, J. O. Johansson, F. Remacle and E. E. B. Campbell
Phys. Chem. Chem. Phys., Vol: 19, No: 35 , published: 21 September 2017
The emergent intramolecular hydrogen bonding effect on the electronic structures of organic electron acceptors
Takashi Takeda, Yasutaka Suzuki, Jun Kawamata, Shin-ichiro Noro, Takayoshi Nakamura and Tomoyuki Akutagawa
Phys. Chem. Chem. Phys., Vol: 19, No: 35 , published: 21 September 2017
The nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculations
Kamal K. Mishra, Santosh K. Singh, Paulami Ghosh, Debashree Ghosh and Aloke Das
Phys. Chem. Chem. Phys., Vol: 19, No: 35 , published: 21 September 2017
Photophysical characterization and time-resolved spectroscopy of a anthradithiophene dimer: exploring the role of conformation in singlet fission
Jacob C. Dean, Ruomeng Zhang, Rawad K. Hallani, Ryan D. Pensack, Samuel N. Sanders, Daniel G. Oblinsky, Sean R. Parkin, Luis M. Campos, John E. Anthony and Gregory D. Scholes
Phys. Chem. Chem. Phys., Vol: 19, No: 34 , published: 14 September 2017
Anionic fructose-related conformational and positional isomers assigned through PES experiments and DFT calculations
Zhen Zeng and Elliot R. Bernstein
Phys. Chem. Chem. Phys., Vol: 19, No: 34 , published: 14 September 2017
Ultrafast excited-state relaxation of a binuclear Ag(I) phosphine complex in gas phase and solution
S. V. Kruppa, F. Bäppler, W. Klopper, S. P. Walg, W. R. Thiel, R. Diller and C. Riehn
Phys. Chem. Chem. Phys., Vol: 19, No: 34 , published: 14 September 2017
Origin of attraction in p-benzoquinone complexes with benzene and p-hydroquinone
Seiji Tsuzuki, Tadafumi Uchimaru and Taizo Ono
Phys. Chem. Chem. Phys., Vol: 19, No: 34 , published: 14 September 2017
How do ligands influence the quantum yields of cyclometalated platinum(II) complexes, a theoretical research study
Baozhu Yang, Shuang Huang and Jianhao Wang
Phys. Chem. Chem. Phys., Vol: 19, No: 34 , published: 14 September 2017
Analysis of the vibronic structure of the trans-stilbene fluorescence and excitation spectra: the S0and S1 PES along the Ce[double bond, length as m-dash]Ce and Ce–Cph torsions
Giorgio Orlandi, Marco Garavelli and Francesco Zerbetto
Phys. Chem. Chem. Phys., Vol: 19, No: 36 , published: 07 September 2017
A simplified ab initio treatment of diradicaloid structures produced from stretching and breaking chemical bonds
Suvonil Sinha Ray, Anirban Ghosh, Anindita Shit, Rajat K. Chaudhuri and Sudip Chattopadhyay
Phys. Chem. Chem. Phys., Vol: 19, No: 33 , published: 07 September 2017
Landscape of the structure–O–H bond dissociation energy relationship of oximes and hydroxylamines
Rina Dao, Xinyu Wang, Kexian Chen, Chenxuan Zhao, Jia Yao and Haoran Li
Phys. Chem. Chem. Phys., Vol: 19, No: 33 , published: 07 September 2017
Approximate relativistic coupled-cluster calculations on heavy alkali-metal diatomics: Application to the spin-orbit-coupled A1Σ+ and b3Π states of RbCs and Cs2
A. Zaitsevskii, N. S. Mosyagin, A. V. Stolyarov, and E. Eliav
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 29 August 2017
The electronic properties of three popular high spin complexes [TM(acac)3, TM = Cr, Mn, and Fe] revisited: an experimental and theoretical study
S. Carlotto, L. Floreano, A. Cossaro, M. Dominguez, M. Rancan, M. Sambi and M. Casarin
Phys. Chem. Chem. Phys., Vol: 19, No: 36 , published: 13 August 2017
The role of amino acid side chains in stabilizing dipeptides: the laser ablation Fourier transform microwave spectrum of Ac-Val-NH2
I. León, E. R. Alonso, S. Mata, C. Cabezas, M. A. Rodríguez, J.-U. Grabow and J. L. Alonso
Phys. Chem. Chem. Phys., Vol: 19, No: 36 , published: 13 August 2017
Energy and radiative properties of the (3)Π1 and (5)Σ+1 states of RbCs: Experiment and theory
K. Alps, A. Kruzins, O. Nikolayeva, M. Tamanis, R. Ferber, E. A. Pazyuk, and A. V. Stolyarov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 11 August 2017
High-resolution optical spectroscopy with a buffer-gas-cooled beam of BaH molecules
G. Z. Iwata, R. L. McNally, and T. Zelevinsky
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 07 August 2017
Modulation of in:out and out:out conformations in [X.X′.X′′] phosphatranes by Lewis acids
Goar Sánchez-Sanz, Cristina Trujillo, Ibon Alkorta and José Elguero
Phys. Chem. Chem. Phys., Vol: 19, No: 31 , published: 07 August 2017
Monocyclic aromatic compounds BnRgn(n−2)+ of boron and rare gases
Zhuo Zhe Li and An Yong Li
Phys. Chem. Chem. Phys., Vol: 19, No: 29 , published: 07 August 2017
Effect of the cation on the stability of cation–glyme complexes and their interactions with the [TFSA] anion
Seiji Tsuzuki, Toshihiko Mandai, Soma Suzuki, Wataru Shinoda, Takenobu Nakamura, Tetsuya Morishita, Kazuhide Ueno, Shiro Seki, Yasuhiro Umebayashi, Kaoru Dokko and Masayoshi Watanabe
Phys. Chem. Chem. Phys., Vol: 19, No: 28 , published: 28 July 2017
Comparative study of the low-lying valence electronic states of carbon dioxide by high-resolution inelastic x-ray and electron scattering
Dong-Dong Ni, Long-Quan Xu, Ya-Wei Liu, Ke Yang, Nozomu Hiraoka, Ku-Ding Tsuei, and Lin-Fan Zhu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 27 July 2017
Unusual cis-diprotonated forms and fluorescent aggregates of non-peripherally alkoxy-substituted metallophthalocyanines
P. Kasprzycki, L. Sobotta, S. Lijewski, M. Wierzchowski, T. Goslinski, J. Mielcarek, C. Radzewicz and P. Fita
Phys. Chem. Chem. Phys., Vol: 19, No: 32 , published: 24 July 2017
Calculation of the magnetic hyperfine structure constant of alkali metals and alkaline-earth-metal ions using the relativistic coupled-cluster method
Sudip Sasmal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 13 July 2017
Structure of the weakly bound triatomic He2Li and He2Na molecules
Hiroya Suno
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 11 July 2017
ШЕСТИКООРДИНИРОВАННЫЙ НИТРОЗИЛЬНЫЙ КОМПЛЕКС СО-МЕЗО-ТЕТРА-П-ТОЛИЛПОРФИРИНА С ТРАНС-1-МЕТИЛИМИДАЗОЛЬНЫМ ЛИГАНДОМ
Оганесян А.А., Куртикян Т.С.
Изв. РАН. Сер. хим., Vol: 2017, No: 7 , published: 07 July 2017
ПРИСОЕДИНЕНИЕ ФЕНИЛАЦЕТИЛЕНА И КАМФОРЫ К КОМПЛЕКСУ [(DPP-BIAN)EU(DME)2] (DPP-BIAN - ДИАНИОН 1,2-БИС[(2,6-ДИИЗОПРОПИЛФЕНИЛ)ИМИНО]АЦЕНАФТЕНА)
Ямбулатов Д.С., Скатова А.А., Черкасов А.В., Федюшкин И.Л.
Изв. РАН. Сер. хим., Vol: 2017, No: 7 , published: 06 July 2017
The shortest Th–Th distance from a new type of quadruple bond
Han-Shi Hu and Nikolas Kaltsoyannis
Phys. Chem. Chem. Phys., Vol: 19, No: 7 , published: 01 July 2017
Steric effect on excimer formation in planar Pt(II) complexes
Yang-Jin Cho, So-Yoen Kim, Ho-Jin Son, Dae Won Cho and Sang Ook Kang
Phys. Chem. Chem. Phys., Vol: 19, No: 7 , published: 01 July 2017
Structure and stability of clusters of β-alanine in the gas phase: importance of the nature of intermolecular interactions
Dariusz Grzegorz Piekarski and Sergio Díaz-Tendero
Phys. Chem. Chem. Phys., Vol: 19, No: 7 , published: 01 July 2017
Modeling the absorption spectrum of the permanganate ion in vacuum and in aqueous solution
Jógvan Magnus Haugaard Olsen and Erik Donovan Hedegård
Phys. Chem. Chem. Phys., Vol: 19, No: 24 , published: 28 June 2017
The influence of hydrogen bonds on NIAD-4 for use in the optical imaging of amyloid fibrils
Donglin Li, Yonggang Yang, Chaozheng Li and Yufang Liu
Phys. Chem. Chem. Phys., Vol: 19, No: 24 , published: 28 June 2017
Thermodynamic analysis of alkali metal complex formation of polymer-bonded crown ether
Alexandra Bey, Oliver Dreyer and Volker Abetz
Phys. Chem. Chem. Phys., Vol: 19, No: 24 , published: 28 June 2017
Azaporphyrin phosphorus(V) complexes: synthesis, structure, and modification of optical properties
Taniyuki Furuyama and Nagao Kobayashi
Phys. Chem. Chem. Phys., Vol: 19, No: 24 , published: 28 June 2017
Exploring the structure and photodissociation mechanism of the electronic states of iodocarbene, CHI: a theoretical contribution
Shimin Shan, Peiyuan Yan, Xiaomei Zhang, Shuang Yin, Xiang Yuan, Haifeng Xu and Bing Yan
Phys. Chem. Chem. Phys., Vol: 19, No: 27 , published: 23 June 2017
Multi-spectroscopic and theoretical analyses on the diphenyl ether–tert-butyl alcohol complex in the electronic ground and electronically excited state
Dominic Bernhard, Fabian Dietrich, Mariyam Fatima, Cristobal Perez, Anja Poblotzki, Georg Jansen, Martin A. Suhm, Melanie Schnell and Markus Gerhards
Phys. Chem. Chem. Phys., Vol: 19, No: 27 , published: 23 June 2017
Relativistic corrections for the ground electronic state of molecular hydrogen
Mariusz Puchalski, Jacek Komasa, and Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 25 May 2017
A theoretical study on anion sensing mechanism of multi-phosphonium triarylboranes: intramolecular charge transfer and configurational changes
Haamid R. Bhat and Prakash C. Jha
Phys. Chem. Chem. Phys., Vol: 19, No: 22 , published: 18 May 2017
Fano resonances in the photoinduced H-atom elimination dynamics in the πσ* states of pyrrole
Sergy Yu. Grebenshchikov and David Picconi
Phys. Chem. Chem. Phys., Vol: 19, No: 23 , published: 18 May 2017
Identification of the protonation site of gaseous triglycine: the cis-peptide bond conformation as the global minimum
Hongbao Li, Jun Jiang and Yi Luo
Phys. Chem. Chem. Phys., Vol: 19, No: 23 , published: 18 May 2017
Electronic structure and time-dependent description of rotational predissociation of LiH
P. Jasik, J. E. Sienkiewicz, J. Domsta and N. E. Henriksen
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 17 May 2017
Auger cascades in resonantly excited neon
S. Stock, R. Beerwerth, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 16 May 2017
Cage-like B39+ clusters with the bonding pattern of σ + π double delocalization: new members of the borospherene family
Xiao-Yun Zhao, Qiang Chen, Hai-Ru Li, Yue-Wen Mu, Hai-Gang Lu and Si-Dian Li
Phys. Chem. Chem. Phys., Vol: 19, No: 18 , published: 14 May 2017
Structural control of side-chain chromophores to achieve highly efficient electro-optic activity
Yuhui Yang, Zhuo Chen, Jialei Liu, Hongyan Xiao, Zhen Zhen, Xinhou Liu and Guohua Jiang
Phys. Chem. Chem. Phys., Vol: 19, No: 18 , published: 14 May 2017
Electronic structure and conformational conversion of calix[4]arene complexes with alkali metal ions
Yoshiya Inokuchi, Kenta Hirai and Takayuki Ebata
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
Revisiting the (E + A) ⊗ (e + a) problems of polyatomic systems with trigonal symmetry: general expansions of their vibronic Hamiltonians
Tao Zeng and Issaka Seidu
Phys. Chem. Chem. Phys., Vol: 19, No: 18 , published: 14 May 2017
Assessment of electronic structure methods for the determination of the ground spin states of Fe(II), Fe(III) and Fe(IV) complexes
Pragya Verma, Zoltan Varga, Johannes E. M. N. Klein, Christopher J. Cramer, Lawrence Que and Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
A conformational study of protonated noradrenaline by UV–UV and IR dip double resonance laser spectroscopy combined with an electrospray and a cold ion trap method
Hiromichi Wako, Shun-ichi Ishiuchi, Daichi Kato, Géraldine Féraud, Claude Dedonder-Lardeux, Christophe Jouvet and Masaaki Fujii
Phys. Chem. Chem. Phys., Vol: 19, No: 17 , published: 07 May 2017
Conformation of protonated glutamic acid at room and cryogenic temperatures
Aude Bouchet, Johanna Klyne, Shun-ichi Ishiuchi, Masaaki Fujii and Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 19, No: 17 , published: 07 May 2017
Rovibrational spectroscopic constants of the interaction between ammonia and metallo-phthalocyanines: a theoretical protocol for ammonia sensor design
Alan R. Baggio, Daniel F. S. Machado, Valter H. Carvalho-Silva, Leonardo G. Paterno and Heibbe Cristhian B. de Oliveira
Phys. Chem. Chem. Phys., Vol: 19, No: 17 , published: 07 May 2017
Structural analyses of isolated cyclic tetrapeptides with varying amino acid residues
A. Stamm, D. Maué, A. Schaly, S. Schlicher, J. Bartl, S. Kubik and M. Gerhards
Phys. Chem. Chem. Phys., Vol: 19, No: 17 , published: 07 May 2017
A theoretical study of low-lying singlet and triplet excited states of quinazoline, quinoxaline and phthalazine: insight into triplet formation
Mihajlo Etinski and Christel M. Marian
Phys. Chem. Chem. Phys., Vol: 19, No: 21 , published: 27 April 2017
Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach
Ana P. de Lima Batista, Antonio G. S. de Oliveira-Filho and Sérgio E. Galembeck
Phys. Chem. Chem. Phys., Vol: 19, No: 21 , published: 27 April 2017
Dissection of H-bonding interactions in a glycolic acid–water dimer
Quanli Gu, Dan Shen, Zhen Tang, Wei Wu, Peifeng Su, Yong Xia, Zhijun Yang and Carl O. Trindle
Phys. Chem. Chem. Phys., Vol: 19, No: 22 , published: 25 April 2017
Can there be a multi-bond between noble gas and metal? A theoretical study of F2XeMoF2
Kunqi Gao and Li Sheng
Phys. Chem. Chem. Phys., Vol: 19, No: 14 , published: 14 April 2017
A vacuum ultraviolet laser pulsed field ionization-photoion study of methane (CH4): determination of the appearance energy of methylium from methane with unprecedented precision and the resulting impact on the bond dissociation energies of CH4 and CH4+
Yih-Chung Chang, Bo Xiong, David H. Bross, Branko Ruscic and C. Y. Ng
Phys. Chem. Chem. Phys., Vol: 19, No: 14 , published: 14 April 2017
Competition between stacked and hydrogen bonded structures of cytosine aggregates
Jorge González, Imanol Usabiaga, Pedro F. Arnaiz, Iker León, Rodrigo Martínez, Judith Millán and José A. Fernández
Phys. Chem. Chem. Phys., Vol: 19, No: 13 , published: 07 April 2017
(D–π–A)2–π–D–A type ferrocenyl bisthiazole linked triphenylamine based molecular systems for DSSC: synthesis, experimental and theoretical performance studies
Ramesh Maragani, Rajneesh Misra, M. S. Roy, Manish Kumar Singh and Ganesh D. Sharma
Phys. Chem. Chem. Phys., Vol: 19, No: 13 , published: 07 April 2017
The effect of interligand energy transfer on the emission spectra of heteroleptic Ir complexes
Yang-Jin Cho, So-Yoen Kim, Ho-Jin Son, Dae Won Cho and Sang Ook Kang
Phys. Chem. Chem. Phys., Vol: 19, No: 13 , published: 07 April 2017
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes
Marco Fusè, Isabella Rimoldi, Edoardo Cesarotti, Sergio Rampino and Vincenzo Barone
Phys. Chem. Chem. Phys., Vol: 19, No: 13 , published: 07 April 2017
Two-photon absorption of the spatially confined LiH molecule
Justyna Kozłowska, Marta Chołuj, Robert Zaleśny and Wojciech Bartkowiak
Phys. Chem. Chem. Phys., Vol: 19, No: 11 , published: 21 March 2017
Electronic spectroscopy of ethyl bromide probed by VUV photoabsorption and quantum chemical calculations
Aparna Shastri, Param Jeet Singh, Sunanda Krishnakumar, Asim Kumar Das and B. N. Raja Sekhar
Phys. Chem. Chem. Phys., Vol: 19, No: 9 , published: 07 March 2017
Ultrafast photochemistry of the bc1 complex
Marten H. Vos, Brandon J. Reeder, Fevzi Daldal and Ursula Liebl
Phys. Chem. Chem. Phys., Vol: 19, No: 9 , published: 07 March 2017
Two-photon absorption of BF2-carrying compounds: insights from theory and experiment
Joanna Bednarska, Robert Zaleśny, Małgorzata Wielgus, Beata Jędrzejewska, Rakesh Puttreddy, Kari Rissanen, Wojciech Bartkowiak, Hans Ågren and Borys Ośmiałowski
Phys. Chem. Chem. Phys., Vol: 19, No: 8 , published: 28 February 2017
Vibrationally-resolved spectroscopic studies of electronically excited states of 1,8-naphthalic anhydride and 1,8-naphthalimide: a delicate interplay between one ππ* and two nπ* states
Elena Maltseva, Saeed Amirjalayer and Wybren Jan Buma
Phys. Chem. Chem. Phys., Vol: 19, No: 8 , published: 28 February 2017
Ab initio molecular dynamics relaxation and intersystem crossing mechanisms of 5-azacytosine
Antonio Carlos Borin, Sebastian Mai, Philipp Marquetand and Leticia González
Phys. Chem. Chem. Phys., Vol: 19, No: 8 , published: 28 February 2017
Characterising molecules for fundamental physics: an accurate spectroscopic model of methyltrioxorhenium derived from new infrared and millimetre-wave measurements
Pierre Asselin, Yann Berger, Thérèse R. Huet, Laurent Margulès, Roman Motiyenko, Richard J. Hendricks, Michael R. Tarbutt, Sean K. Tokunaga and Benoît Darquié
Phys. Chem. Chem. Phys., Vol: 19, No: 6 , published: 14 February 2017
Molecular electronic structure in one-dimensional Coulomb systems
Caleb J. Ball, Pierre-François Loos and Peter M. W. Gill
Phys. Chem. Chem. Phys., Vol: 19, No: 5 , published: 07 February 2017
Combining the spin-separated exact two-component relativistic Hamiltonian with the equation-of-motion coupled-cluster method for the treatment of spin–orbit splittings of light and heavy elements
Zhanli Cao, Zhendong Li, Fan Wang and Wenjian Liu
Phys. Chem. Chem. Phys., Vol: 19, No: 5 , published: 07 February 2017
Unlocking the electronic genome of halogenobenzenes
Sebastian R. Jezowski, Ryan Baer, Stephen Monaco, Carlos A. Mora-Perez and Bohdan Schatschneider
Phys. Chem. Chem. Phys., Vol: 19, No: 5 , published: 07 February 2017
Microsolvation of the pyrrole cation (Py+) with nonpolar and polar ligands: infrared spectra of Py+–Ln with L = Ar, N2, and H2O (n ≤ 3)
Markus Schütz, Yoshiteru Matsumoto, Aude Bouchet, Murat Öztürk and Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 19, No: 5 , published: 07 February 2017
Substituent effects on the relaxation dynamics of furan, furfural and β-furfural: a combined theoretical and experimental approach
Sven Oesterling, Oliver Schalk, Ting Geng, Richard D. Thomas, Tony Hansson and Regina de Vivie-Riedle
Phys. Chem. Chem. Phys., Vol: 19, No: 3 , published: 21 January 2017
Theoretical investigation of gas-phase molecular complex formation between 2-hydroxy thiophenol and a water molecule
Debojit Kumar Deb and Biplab Sarkar
Phys. Chem. Chem. Phys., Vol: 19, No: 3 , published: 21 January 2017
The strongest CO binding and the highest C–O stretching frequency
Ranajit Saha, Sudip Pan, Gernot Frenking, Pratim K. Chattaraj and Gabriel Merino
Phys. Chem. Chem. Phys., Vol: 19, No: 3 , published: 21 January 2017
Structures of protonated hydrogen sulfide clusters, H+(H2S)n, highlighting the nature of sulfur-centered intermolecular interactions
Dandan Wang and Asuka Fujii
Phys. Chem. Chem. Phys., Vol: 19, No: 3 , published: 21 January 2017
Chirped-pulse Fourier transform millimeter-wave spectroscopy of ten vibrationally excited states of i-propyl cyanide: exploring the far-infrared region
Benjamin E. Arenas, Sébastien Gruet, Amanda L. Steber, Barbara M. Giuliano and Melanie Schnell
Phys. Chem. Chem. Phys., Vol: 19, No: 3 , published: 21 January 2017
Новая лигандная система, содержащая сульфаниламидный и хиназолиноновый фрагменты: синтез, строение, свойства
Попов Л.Д., Бородкин С.А., Цатурян А.А., Туполова Ю.П., Левченков С.И., Минин В.В., Бурлов А.С., Ревинский Ю.В., Щербаков И.Н., Распопова Е.А.
Ж. общ. химии, Vol: 87, No: 1 , published: 01 January 2017
Синтез, строение и фотолюминесцентные свойства N-{2-[5-(2-гидроксифенилметиленамино)-1-алкилбензимидазол-2-ил]фенил}-4-метилбензолсульфамидов и их комплексов с цинком
Кощиенко Ю.В., Бурлов А.С., Макарова Н.И., Власенко В.Г., Николаевский С.А., Кискин М.А., Александров Г.Г., Гарновский Д.А., Метелица А.В., Минкин В.И.
Ж. общ. химии, Vol: 87, No: 1 , published: 01 January 2017
Квантовохимическое изучение аддуктов азометиновых комплексов кобальта с аценафтен-1,2-дииминами
Стариков А.Г., Старикова А.А., Минкин В.И.
Ж. общ. химии, Vol: 87, No: 1 , published: 01 January 2017
Синтез, спектральные, магнитные и термические свойства комплексов тетрахлорокобальтатов Се(IV) с пиридиноил(аминобензоил)гидразонами 2-гидроксиарилальдегидов
Шматкова Н.В., Сейфуллина И.И., Власенко В.Г., Тригуб А.Л., Левченков С.И., Хитрич Н.В.
Ж. общ. химии, Vol: 87, No: 1 , published: 01 January 2017
Спектрально-люминесцентные свойства 5-(2-гидроксифенил)-3-этил-1-(пиридин-2-ил)-1h-1,2,4-триазола и его ве(ii)-комплекса
Михайлов И.Е., Попов Л.Д., Викрищук Н.И., Белдовская А.Д., Душенко Г.А., Ревинский Ю.В., Минкин В.И.
Ж. общ. химии, Vol: 87, No: 1 , published: 01 January 2017
Квантово-химическое исследование строения и спектральных свойств комплексов железа(II) и рутения(II) на основе производных полипиридина — сенсибилизаторов для DSSC
А. А. Цатурян, И. Н. Щербаков, Т. В. Швыдко, В. А. Коган
Изв. РАН. Сер. хим., Vol: 2017, No: 1 , published: 01 January 2017
An ab initio study of the ground and excited electronic states of the methyl radical
A. Zanchet, L. Bañares, M. L. Senent and A. García-Vela
Phys. Chem. Chem. Phys., Vol: 18, No: 48 , published: 28 December 2016
Mechanism of excited state deactivation of indan-1-ylidene and fluoren-9-ylidene malononitriles
Leandro A. Estrada, Antonio Francés-Monerris, Igor Schapiro, Massimo Olivucci and Daniel Roca-Sanjuán
Phys. Chem. Chem. Phys., Vol: 18, No: 48 , published: 28 December 2016
Synthesis and reductive elimination of arylPd(II) trifluoromethyl complexes: a remarkable concentration effect on chemoselectivity
Song-Lin Zhang and Zhu-Qin Deng
Phys. Chem. Chem. Phys., Vol: 18, No: 48 , published: 28 December 2016
Insights into bonding interactions and excitation energies of 3d–4f mixed lanthanide transition metal macrocyclic complexes
Walter A. Rabanal-León, Juliana A. Murillo-López and Ramiro Arratia-Pérez
Phys. Chem. Chem. Phys., Vol: 18, No: 48 , published: 28 December 2016
Molecular logic gates based on benzo-18-crown-6 ether of styrylquinoline: a theoretical study
Demeter Tzeli, Ioannis D. Petsalakis and Giannoula Theodorakopoulos
Phys. Chem. Chem. Phys., Vol: 18, No: 47 , published: 21 December 2016
Supramolecular influence on cistrans isomerization probed by ion mobility spectrometry
Izabella Czerwinska, Alexander Kulesza, Changmin Choi, Fabien Chirot, Anne-Laure Simon, Johann Far, Chistopher Kune, Edwin de Pauw and Philippe Dugourd
Phys. Chem. Chem. Phys., Vol: 18, No: 47 , published: 21 December 2016
Choosing the right precursor for thermal decomposition solution-phase synthesis of iron nanoparticles: tunable dissociation energies of ferrocene derivatives
Cameron H. W. Kelly and Matthias Lein
Phys. Chem. Chem. Phys., Vol: 18, No: 47 , published: 21 December 2016
Unusual acid–base properties of the P4 molecule in hydrogen-, halogen-, and pnicogen-bonded complexes
Ibon Alkorta, José Elguero and Janet E. Del Bene
Phys. Chem. Chem. Phys., Vol: 18, No: 47 , published: 21 December 2016
Accidental degeneracy in the spiropyran radical cation: charge transfer between two orthogonal rings inducing ultra-efficient reactivity
David Mendive-Tapia, Luuk Kortekaas, Jorn D. Steen, Aurélie Perrier, Benjamin Lasorne, Wesley R. Browne and Denis Jacquemin
Phys. Chem. Chem. Phys., Vol: 18, No: 45 , published: 07 December 2016
Structural assignment, and electronic and magnetic properties of lanthanide metal doped silicon heptamers Si7M0/− with M = Pr, Gd and Ho
Tran Dieu Hang, Huynh Minh Hung and Minh Tho Nguyen
Phys. Chem. Chem. Phys., Vol: 18, No: 45 , published: 07 December 2016
Molecular and Crystal Structures of Dicationic Tetrakis(1,3-benzodithiol-2-ylidene)cyclopentanone
Masafumi Ueda, Akimi Tahara, Takashi Shirahata, and Yohji Misaki
Bull. Chem. Soc. Jpn., Vol: 89, No: 12 , published: 01 December 2016
Tuning the vibrational coupling of H3O+ by changing its solvation environment
Jake A. Tan, Jheng-Wei Li, Cheng-chau Chiu, Hsin-Yi Liao, Hai Thi Huynh and Jer-Lai Kuo
Phys. Chem. Chem. Phys., Vol: 18, No: 44 , published: 28 November 2016
Time-dependent description of the predissociation of N2+ in the C 2Σu+ state
B. Paulus, J. F. Pérez-Torres, and C. Stemmle
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 28 November 2016
Characterization of N⋯O non-covalent interactions involving σ-holes: “electrostatics” or “dispersion”
Rahul Shukla and Deepak Chopra
Phys. Chem. Chem. Phys., Vol: 18, No: 43 , published: 21 November 2016
Resolving the origin of the multimode Jahn–Teller effect in metallophthalocyanines
Lj. Andjelković, S. Stepanović, F. Vlahović, M. Zlatar and M. Gruden
Phys. Chem. Chem. Phys., Vol: 18, No: 42 , published: 14 November 2016
Effects of extending the π-conjugation of the acetylide ligand on the photophysics and reverse saturable absorption of Pt(II) bipyridine bisacetylide complexes
Taotao Lu, Chengzhe Wang, Levi Lystrom, Chengkui Pei, Svetlana Kilina and Wenfang Sun
Phys. Chem. Chem. Phys., Vol: 18, No: 41 , published: 07 November 2016
Ultrafast excited states dynamics of [Ru(bpy)3]2+ dissolved in ionic liquids
Mario Borgwardt, Martin Wilke, Igor Yu. Kiyan and Emad F. Aziz
Phys. Chem. Chem. Phys., Vol: 18, No: 41 , published: 07 November 2016
Metallic cyanoacetylides of copper, silver and gold: generation and structural characterization
Carlos Cabezas, Carmen Barrientos, Antonio Largo, Jean-Claude Guillemin and J. L. Alonso
Phys. Chem. Chem. Phys., Vol: 18, No: 41 , published: 07 November 2016
Синтез, структура и комплексообразование бискраунсодержащих 1,4-дистирилбензолов
А. И. Ведерников, В. Н. Нуриев, О. В. Федоров, А. А. Моисеева, Н. А. Курчавов, Л. Г. Кузьмина, А. Я. Фрейдзон, Е. С. Подъячева, А. В. Медведько, С. З. Вацадзе, С. П. Громов
Изв. РАН. Сер. хим., Vol: 2016, No: 11 , published: 01 November 2016
The first example of ab initio calculations of ff transitions for the case of [Eu(DOTP)]5− complex—experiment versus theory
Rafał Janicki, Andrzej Kędziorski and Anna Mondry
Phys. Chem. Chem. Phys., Vol: 18, No: 40 , published: 28 October 2016
Controlling the rotational and hyperfine state of ultracold Rb87Cs133 molecules
Philip D. Gregory, Jesus Aldegunde, Jeremy M. Hutson, and Simon L. Cornish
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 28 October 2016
Triplet state formation and quenching dynamics of 2-mercaptobenzothiazole in solution
Daisuke Koyama and Andrew J. Orr-Ewing
Phys. Chem. Chem. Phys., Vol: 18, No: 37 , published: 07 October 2016
Ultrafast relaxation dynamics of electronically excited piperidine: ionization signatures of Rydberg/valence evolution
Liv B. Klein, James O. F. Thompson, Stuart W. Crane, Lisa Saalbach, Theis I. Sølling, Martin J. Paterson and Dave Townsend
Phys. Chem. Chem. Phys., Vol: 18, No: 36 , published: 28 September 2016
Relative extent of double and single Auger decay in molecules containing C, N and O atoms
A. Hult Roos, J. H. D. Eland, J. Andersson, S. Zagorodskikh, R. Singh, R. J. Squibb and R. Feifel
Phys. Chem. Chem. Phys., Vol: 18, No: 36 , published: 28 September 2016
Organic heterocyclic molecules become superalkalis
G. Naaresh Reddy and Santanab Giri
Phys. Chem. Chem. Phys., Vol: 18, No: 35 , published: 21 September 2016
Formation of stable HCl+ following resonant Auger decay in CH3Cl
E. Kokkonen, M. Vapa, K. Bučar, K. Jänkälä, W. Cao, M. Žitnik, and M. Huttula
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 12 September 2016
Excited-state torsional relaxation dynamics of mesomeso directly linked corrole dimers: importance of linking position
Kyu Hyung Park, Shota Ooi, Taeyeon Kim, Takayuki Tanaka, Atsuhiro Osuka and Dongho Kim
Phys. Chem. Chem. Phys., Vol: 18, No: 33 , published: 07 September 2016
Влияние объемных заместителей на фотохромные свойства индолиновых спиропиранов, содержащих аннелированный ароматический или гетероароматический фрагмент
Тюрин Р.В., Лукьянов Б.С., Чернышев А.В., Малай В.И., Козленко А.С., Ткачева Н.С., Буров О.Н., Лукьянова М.Б.
Докл. РАН, Vol: 470, No: 3 , published: 01 September 2016
Rydberg and continuum states of the HeH+ molecular ion: Variational R-matrix and multichannel quantum defect theory calculations
I. Bouhali, S. Bezzaouia, M. Telmini, and Ch. Jungen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 31 August 2016
4-Component relativistic calculations of L3 ionization and excitations for the isoelectronic species UO22+, OUN+ and UN2
Christopher South, Avijit Shee, Debashis Mukherjee, Angela K. Wilson and Trond Saue
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
The methylsulfinyl radical CH3SO examined
Marissa L. Estep and Henry F. Schaefer III
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
Planar B3S2H3 and B3S2H3 clusters with a five-membered B3S2 ring: boron–sulfur hydride analogues of cyclopentadiene
Da-Zhi Li, Rui Li, Li-Juan Zhang, Ting Ou and Hua-Jin Zhai
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Solvent effects on static polarizability, static first hyperpolarizability and one- and two-photon absorption properties of functionalized triply twisted Möbius annulenes: a DFT study
Md Mehboob Alam, Varun Kundi and Pompozhi Protasis Thankachan
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
A new insight into the photochemistry of avobenzone in gas phase and acetonitrile from ab initio calculations
Marko Kojić, Milena Petković and Mihajlo Etinski
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
Kohn–Sham calculations of NMR shifts for paramagnetic 3d metal complexes: protocols, delocalization error, and the curious amide proton shifts of a high-spin iron(II) macrocycle complex
Bob Martin and Jochen Autschbach
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Zn2+ and Cd2+ cationized serine complexes: infrared multiple photon dissociation spectroscopy and density functional theory investigations
Rebecca A. Coates, Georgia C. Boles, Christopher P. McNary, Giel Berden, Jos Oomens and P. B. Armentrout
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory
Brina Brauer, Manoj K. Kesharwani, Sebastian Kozuch and Jan M. L. Martin
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Molecular polymorphism: microwave spectra, equilibrium structures, and an astronomical investigation of the HNCS isomeric family
Brett A. McGuire, Marie-Aline Martin-Drumel, Sven Thorwirth, Sandra Brünken, Valerio Lattanzi, Justin L. Neill, Silvia Spezzano, Zhenhong Yu, Daniel P. Zaleski, Anthony J. Remijan, Brooks H. Pate and Michael C. McCarthy
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
Measurement of the binding energy of ultracold Rb87Cs133 molecules using an offset-free optical frequency comb
Peter K. Molony, Avinash Kumar, Philip D. Gregory, Russell Kliese, Thomas Puppe, C. Ruth Le Sueur, Jesus Aldegunde, Jeremy M. Hutson, and Simon L. Cornish
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 15 August 2016
Microwave spectroscopy of the cold rubidium (n+1)d5/2ng and nh transitions
Jeonghun Lee, J. Nunkaew, and T. F. Gallagher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 10 August 2016
The role of the dipolar neighborhood on the relaxation dynamics of multichromophoric merocyanines
Federico Koch, Andreas Steinbacher, Cristina Consani, André Zitzler-Kunkel, Matthias Stolte, Frank Würthner and Tobias Brixner
Phys. Chem. Chem. Phys., Vol: 18, No: 29 , published: 07 August 2016
Observation of hyperfine interaction in photoassociation spectra of ultracold RbYb
C. Bruni and A. Görlitz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 03 August 2016
Изучение строения спиропиранов на основе 1,3-оксазолидина
Лукьянов Б.С., Ткачев В.В., Лукьянова М.Б., Утенышев А.Н., Тюрин Р.В., Коробов М.С., Алдошин С.М.
Изв. РАН. Сер. хим., Vol: 2016, No: 8 , published: 01 August 2016
2,3-Diphenylphenanthro[9,10-b]furan Derivatives as New Blue Fluorophores
Taketo Kojima, Ikumi Kawajiri, Jun-ichi Nishida, Chitoshi Kitamura, Hiroyuki Kurata, Mirai Tanaka, Hiroshi Ikeda, Takeshi Kawase
Bull. Chem. Soc. Jpn., Vol: 89, No: 8 , published: 01 August 2016
New insights into the vibrational and optical signatures of trans-stilbene via integrated experimental and quantum mechanical approaches
Florian Massuyeau, Eric Faulques, Camille Latouche and Vincenzo Barone
Phys. Chem. Chem. Phys., Vol: 18, No: 28 , published: 28 July 2016
PCl3–C6H6 heterodimers: evidence for P⋯π phosphorus bonding at low temperatures
N. Ramanathan, K. Sankaran and K. Sundararajan
Phys. Chem. Chem. Phys., Vol: 18, No: 28 , published: 28 July 2016
H3P⋯AgI: generation by laser-ablation and characterization by rotational spectroscopy and ab initio calculations
Susanna L. Stephens, David P. Tew, Nicholas R. Walker and Anthony C. Legon
Phys. Chem. Chem. Phys., Vol: 18, No: 28 , published: 28 July 2016
Role of ion-pair states in the predissociation dynamics of Rydberg states of molecular iodine
J. von Vangerow, A. S. Bogomolov, N. V. Dozmorov, D. Schomas, F. Stienkemeier, A. V. Baklanov and M. Mudrich
Phys. Chem. Chem. Phys., Vol: 18, No: 28 , published: 28 July 2016
Rovibrational energy levels of the F(H2O) and F(D2O) complexes
János Sarka, David Lauvergnat, Vincent Brites, Attila G. Császár and Celine Léonard
Phys. Chem. Chem. Phys., Vol: 18, No: 26 , published: 14 July 2016
BNg3F3: the first three noble gas atoms inserted into mono-centric neutral compounds – a theoretical study
Wei Chen, Guang-Hui Chen, Di Wu and Qiang Wang
Phys. Chem. Chem. Phys., Vol: 18, No: 26 , published: 14 July 2016
Энергетический спектр и спектры оптического поглощения изомеров фуллерена C76 и эндоэдральных металлокомплексов на их основе в рамках концепции сильно коррелированного состояния
Лебедев Ю.А., Лобанов Б.В., Мурзашев А.И.
Изв. вузов. Физ., Vol: 59, No: 7 , published: 01 July 2016
Синтез, строение, электрохимия и фотофизика 2,5-дибензилиденциклопентанонов, содержащих различные по полярности заместители в бензольных кольцах
Вацадзе С.З., Гаврилова Г.В., Зюзькевич Ф.С., Нуриев В.Н., Крутько Д.П., Моисеева А.А., Шумянцев А.В., Ведерников А.И., Чураков А.В., Кузьмина Л.Г., Ховард Д.А.К., Громов С.П.
Изв. РАН. Сер. хим., Vol: 2016, No: 7 , published: 01 July 2016
Синтез, строение и люминесцентные свойства комплексов Pr(III) c 1,3-дикетоном пиразольного ряда и 1,10-фенантролином
Метлин М.Т., Амброзевич С.А., Красносельский С.С., Витухновский А.Г., Нефедов С.Е., Тайдаков И.В.
Изв. РАН. Сер. хим., Vol: 2016, No: 7 , published: 01 July 2016
Химия карбэкс-процесса. Идентификация полос поглощения лигандов в электронных спектрах водных растворов Na4[UO2(CO3)3]
Степанов С.И., Бояринцев А.В., Поляков С.А., Вольф А.С., Чекмарев А.М., Цивадзе А.Ю.
Докл. РАН, Vol: 469, No: 1 , published: 01 July 2016
A re-investigation of 4JFF and 5JFF nuclear spin–spin couplings in substituted benzenes, a novel conformational tool
Raymond J. Abraham and M. Ashley Cooper
Phys. Chem. Chem. Phys., Vol: 18, No: 23 , published: 21 June 2016
Connectivity matters – ultrafast isomerization dynamics of bisazobenzene photoswitches
Chavdar Slavov, Chong Yang, Luca Schweighauser, Chokri Boumrifak, Andreas Dreuw, Hermann A. Wegner and Josef Wachtveitl
Phys. Chem. Chem. Phys., Vol: 18, No: 22 , published: 14 June 2016
The first UV absorption band of L-tryptophan is not due to two simultaneous orthogonal electronic transitions differing in the dipole moment
Javier Catalán
Phys. Chem. Chem. Phys., Vol: 18, No: 22 , published: 14 June 2016
The S1 ← S0 fluorescence excitation spectrum and structure of propanal in the S1 excited electronic state
I. A. Godunov, N. N. Yakovlev, R. V. Terentiev, D. V. Maslov and A. V. Abramenkov
Phys. Chem. Chem. Phys., Vol: 18, No: 22 , published: 14 June 2016
Inner-shell photoexcitations as probes of the molecular ions CH+, OH+, and SiH+: Measurements and theory
J.-P. Mosnier, E. T. Kennedy, P. van Kampen, D. Cubaynes, S. Guilbaud, N. Sisourat, A. Puglisi, S. Carniato, and J.-M. Bizau
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 14 June 2016
Electronic state-lifetime interference in resonant Auger spectra: a tool to disentangle overlapping core-excited states
Gildas Goldsztejn, Tatiana Marchenko, Denis Céolin, Loïc Journel, Renaud Guillemin, Jean-Pascal Rueff, Rajesh K. Kushawaha, Ralph Püttner, Maria Novella Piancastelli and Marc Simon
Phys. Chem. Chem. Phys., Vol: 18, No: 22 , published: 14 June 2016
Low-energy excited states of divanadium: a matrix isolation and MRCI study
Olaf Hübner and Hans-Jörg Himmel
Phys. Chem. Chem. Phys., Vol: 18, No: 21 , published: 07 June 2016
Theoretical investigations of absorption and fluorescence spectra of protonated pyrene
Chih-Hao Chin and Sheng Hsien Lin
Phys. Chem. Chem. Phys., Vol: 18, No: 21 , published: 07 June 2016
Synthesis and structure–property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules
Abby-Jo Payne, Arthur D. Hendsbee, Seth M. McAfee, Devproshad K. Paul, Kunal Karan and Gregory C. Welch
Phys. Chem. Chem. Phys., Vol: 18, No: 21 , published: 07 June 2016
Design of spin-forbidden transitions for polypyridyl metal complexes by time-dependent density functional theory including spin–orbit interaction
Shohei Kanno, Yutaka Imamura and Masahiko Hada
Phys. Chem. Chem. Phys., Vol: 18, No: 21 , published: 07 June 2016
K- and L-edge X-ray absorption spectrum calculations of closed-shell carbon, silicon, germanium, and sulfur compounds using damped four-component density functional response theory
Thomas Fransson, Daria Burdakova and Patrick Norman
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
Enhancement of two photon absorption properties and intersystem crossing by charge transfer in pentaaryl boron-dipyrromethene (BODIPY) derivatives
B. Küçüköz, G. Sevinç, E. Yildiz, A. Karatay, F. Zhong, H. Yılmaz, Y. Tutel, M. Hayvalı, J. Zhao and H. G. Yaglioglu
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
Extended charge accumulation in ruthenium–4H-imidazole-based black absorbers: a theoretical design concept
Stephan Kupfer
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
Gas phase complexes of H3N⋯CuF and H3N⋯CuI studied by rotational spectroscopy and ab initio calculations: the effect of X (X = F, Cl, Br, I) in OC⋯CuX and H3N⋯CuX
Dror M. Bittner, Susanna L. Stephens, Daniel P. Zaleski, David P. Tew, Nicholas R. Walker and Anthony C. Legon
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
A new record excited state 3MLCT lifetime for metalorganic iron(II) complexes
Li Liu, Thibaut Duchanois, Thibaud Etienne, Antonio Monari, Marc Beley, Xavier Assfeld, Stefan Haacke and Philippe C. Gros
Phys. Chem. Chem. Phys., Vol: 18, No: 18 , published: 14 May 2016
Electron delocalization and electron density of small polycyclic aromatic hydrocarbons in singlet excited states
Mar Estévez-Fregoso and Jesús Hernández-Trujillo
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Bis(triisopropylsilylethynyl)-substituted pyrene-fused tetraazaheptacene: synthesis and properties
A. Belén Marco, Cristian Gozalvez, Mikel Olano, Xiangnan Sun, Ainhoa Atxabal, Manuel Melle-Franco, Luis E. Hueso and Aurelio Mateo-Alonso
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Heteroleptic Ru(II)-bipyridine complexes based on hexylthioether-, hexyloxy- and hexyl-substituted thienylenevinylenes and their application in dye-sensitized solar cells
Maxence Urbani, María Sánchez Carballo, Sangeeta Amit Kumar, Purificación Vázquez, Michael Grätzel, Mohammad Khaja Nazeeruddin, Fernando Langa and Tomás Torres
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Спектральные характеристики конформационных изомеров мезо-октаметилкаликс(4)пиррола по данным квантово-химических расчетов
Суров О.В., Крестьянинов М.А., Мамардашвили Н.Ж.
Изв. вузов. Химия и хим. технол., Vol: 59, No: 5 , published: 01 May 2016
Химия карбэкс-процесса. идентификация полос поглощения лигандов в электронных спектрах водных растворов Na4[UO2(O2)CO3)2]
Бояринцев А.В., Степанов С.И., Чехлов А.А., Чекмарев А.М., Цивадзе А.Ю.
Докл. РАН, Vol: 469, No: 5 , published: 01 May 2016
Синтез первых представителей 46-членных P,N,O-содержащих циклофанов и их комплексов с переходными металлами
Николаева Ю.А., Балуева А.С., Игнатьева С.Н., Мусина Э.И., Карасик А.А.
Изв. РАН. Сер. хим., Vol: 2016, No: 5 , published: 01 May 2016
Dynamics and spectroscopy of CH2OO excited electronic states
Jaroslaw Kalinowski, Elizabeth S. Foreman, Kara M. Kapnas, Craig Murray, Markku Räsänen and R. Benny Gerber
Phys. Chem. Chem. Phys., Vol: 18, No: 16 , published: 28 April 2016
A PYP chromophore acts as a ‘photoacid’ in an isolated hydrogen bonded complex
Lars H. Andersen, Anastasia V. Bochenkova, Jørgen Houmøller, Hjalte V. Kiefer, Elie Lattouf and Mark H. Stockett
Phys. Chem. Chem. Phys., Vol: 18, No: 15 , published: 21 April 2016
Understanding the tautomerism in azacalixphyrins
Gabriel Marchand, Patrick Giraudeau, Zhongrui Chen, Mourad Elhabiri, Olivier Siri and Denis Jacquemin
Phys. Chem. Chem. Phys., Vol: 18, No: 14 , published: 14 April 2016
Aggregation-induced emission of diarylamino-π-carborane triads: effects of charge transfer and π-conjugation
Yang-Jin Cho, So-Yoen Kim, Minji Cho, Won-Sik Han, Ho-Jin Son, Dae Won Cho and Sang Ook Kang
Phys. Chem. Chem. Phys., Vol: 18, No: 14 , published: 14 April 2016
The effects of symmetry and rigidity on non-adiabatic dynamics in tertiary amines: a time-resolved photoelectron velocity-map imaging study of the cage-amine ABCO
Liv B. Klein, Thorbjørn J. Morsing, Ruth A. Livingstone, Dave Townsend and Theis I. Sølling
Phys. Chem. Chem. Phys., Vol: 18, No: 14 , published: 14 April 2016
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study
Gianluca Del Frate, Fabio Bellina, Giordano Mancini, Giulia Marianetti, Pierpaolo Minei, Andrea Pucci and Vincenzo Barone
Phys. Chem. Chem. Phys., Vol: 18, No: 14 , published: 14 April 2016
Modulating intramolecular P⋯N pnictogen interactions
Goar Sánchez-Sanz, Cristina Trujillo, Ibon Alkorta and José Elguero
Phys. Chem. Chem. Phys., Vol: 18, No: 13 , published: 07 April 2016
Синтез и исследование новых фотохромных спиропиранов, содержащих формилкумариновый фрагмент
Николаева О.Г., Метелица А.В., Чепрасов А.С., Карлутова О.Ю., Стариков А.Г., Дубоносов А.Д., Брень В.А., Минкин В.И.
Изв. РАН. Сер. хим., Vol: 2016, No: 4 , published: 01 April 2016
Synthesis and Characterization of a Di-µ-oxalato Tetracopper(II) Complex with Tetranucleating Macrocyclic Ligand
Yuji Miyazato, Eiji Asato, Masaaki Ohba, Tohru Wada
Bull. Chem. Soc. Jpn., Vol: 89, No: 4 , published: 01 April 2016
Relativistic correlation effects on the x-ray spectra of Li-like ions
L. Natarajan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 25 March 2016
Observation of mixed singlet-triplet Rb2 Rydberg molecules
F. Böttcher, A. Gaj, K. M. Westphal, M. Schlagmüller, K. S. Kleinbach, R. Löw, T. Cubel Liebisch, T. Pfau, and S. Hofferberth
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 21 March 2016
Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution
Sebastian Höfener, Michael Trumm, Carsten Koke, Johannes Heuser, Ulf Ekström, Andrej Skerencak-Frech, Bernd Schimmelpfennig and Petra J. Panak
Phys. Chem. Chem. Phys., Vol: 18, No: 11 , published: 21 March 2016
Cage effects on conformational preference and photophysics in the host–guest complex of benzenediols with 18-Crown-6
Fumiya Morishima, Ryoji Kusaka, Yoshiya Inokuchi, Takeharu Haino and Takayuki Ebata
Phys. Chem. Chem. Phys., Vol: 18, No: 11 , published: 21 March 2016
3c/4e δ-type long-bonding competes with ω-bonding in noble-gas hydrides HNgY (Ng = He, Ne, Ar, Kr, Xe, Rn; Y = F, Cl, Br, I): a NBO/NRT perspective
Guiqiu Zhang, Hong Li, Frank Weinhold and Dezhan Chen
Phys. Chem. Chem. Phys., Vol: 18, No: 11 , published: 21 March 2016
Precision spectroscopy of the hydrogen molecular ion D2+
Pei-Pei Zhang, Zhen-Xiang Zhong, Zong-Chao Yan, and Ting-Yun Shi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 15 March 2016
Proton triggered emission and selective sensing of picric acid by the fluorescent aggregates of 6,7-dimethyl-2,3-bis-(2-pyridyl)-quinoxaline
Prativa Mazumdar, Samir Maity, Milan Shyamal, Debasish Das, Gobinda Prasad Sahoo and Ajay Misra
Phys. Chem. Chem. Phys., Vol: 18, No: 10 , published: 14 March 2016
The impact of solvents on the singlet and triplet states of selected fluorine corroles – absorption, fluorescence, and optoacoustic studies
Bartosz Bursa, Danuta Wróbel, Bolesław Barszcz, Michał Kotkowiak, Olena Vakuliuk, Daniel T. Gryko, Łukasz Kolanowski, Marek Baraniak and Grzegorz Lota
Phys. Chem. Chem. Phys., Vol: 18, No: 10 , published: 14 March 2016
Rapid intersystem crossings in anti bimanes
T. S. Chwee, G. S. Lim, Z. C. Wong, M. B. Sullivan and W. Y. Fan
Phys. Chem. Chem. Phys., Vol: 18, No: 10 , published: 14 March 2016
Intramolecular charge transfer in aminobenzonitriles and tetrafluoro counterparts: fluorescence explained by competition between low-lying excited states and radiationless deactivation. Part I: A mechanistic overview of the parent system ABN
Mireia Segado, Isabel Gómez and Mar Reguero
Phys. Chem. Chem. Phys., Vol: 18, No: 9 , published: 07 March 2016
Гамильтониан для электронно-колебательно-вращательной задачи в теории молекул
Грибов Л.А.
Докл. РАН, Vol: 467, No: 1 , published: 01 March 2016
Electric dipole moments and chemical bonding of diatomic alkali–alkaline earth molecules
Johann V. Pototschnig, Andreas W. Hauser and Wolfgang E. Ernst
Phys. Chem. Chem. Phys., Vol: 18, No: 8 , published: 28 February 2016
Excitation wavelength-dependent EPR study on the influence of the conformation of multiporphyrin arrays on triplet state delocalization
Claudia E. Tait, Patrik Neuhaus, Martin D. Peeks, Harry L. Anderson and Christiane R. Timmel
Phys. Chem. Chem. Phys., Vol: 18, No: 7 , published: 21 February 2016
Flavonol–carbon nanostructure hybrid systems: a DFT study on the interaction mechanism and UV/Vis features
Gregorio García, Mert Atilhan and Santiago Aparicio
Phys. Chem. Chem. Phys., Vol: 18, No: 6 , published: 14 February 2016
Another challenge to paramagnetic relaxation theory: a study of paramagnetic proton NMR relaxation in closely related series of pyridine-derivatised dysprosium complexes
Nicola J. Rogers, Katie-Louise N. A. Finney, P. Kanthi Senanayake and David Parker
Phys. Chem. Chem. Phys., Vol: 18, No: 6 , published: 14 February 2016
Two photon absorption properties of four coordinated transition metal complexes of tetraarylazadipyrromethene compounds
E. Akhüseyin, O. Türkmen, B. Küçüköz, H. Yılmaz, A. Karatay, G. Sevinç, K. Xu, M. Hayvali and H. G. Yaglioglu
Phys. Chem. Chem. Phys., Vol: 18, No: 6 , published: 14 February 2016
Planar tetracoordinate carbon species CLi3E with 12-valence-electrons
Jiayi Guo, Haoyu Chai, Qian Duan, Jieming Qin, Xiande Shen, Dayong Jiang, Jianhua Hou, Bing Yan, Zhiru Li, Fenglong Gu and Qianshu Li
Phys. Chem. Chem. Phys., Vol: 18, No: 6 , published: 14 February 2016
Electronic structure of the para-benzoquinone radical anion revisited
Alexander A. Kunitsa and Ksenia B. Bravaya
Phys. Chem. Chem. Phys., Vol: 18, No: 5 , published: 07 February 2016
Химические превращения бактериохлорофилла а и области их медицинского применения
М. А. Грин, А. Ф. Миронов
Изв. РАН. Сер. хим., Vol: 2016, No: 2 , published: 01 February 2016
Химические превращения бактериохлорофилла а и области их медицинского применения
М. А. Грин, А. Ф. Миронов
Изв. РАН. Сер. хим., Vol: 2016, No: 2 , published: 01 February 2016
Cинтез и фунгицидная активность замещенных 6-азолилметил-7-бензилиденспиро[4.5]декан-6-олов
С. В. Попков, А. А. Макаренко, Г. И. Никишин
Изв. РАН. Сер. хим., Vol: 2016, No: 2 , published: 01 February 2016
Energy transfer and formation of long-lived 3MLCT states in multimetallic complexes with extended highly conjugated bis-terpyridyl ligands
Maria Wächtler, Joachim Kübel, Kevin Barthelmes, Andreas Winter, Alexander Schmiedel, Torbjörn Pascher, Christoph Lambert, Ulrich S. Schubert and Benjamin Dietzek
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
The nature of chemical bonding in actinide and lanthanide ferrocyanides determined by X-ray absorption spectroscopy and density functional theory
Thomas Dumas, Dominique Guillaumont, Clara Fillaux, Andreas Scheinost, Philippe Moisy, Sébastien Petit, David K. Shuh, Tolek Tyliszczak and Christophe Den Auwer
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method
Meiyuan Guo, Lasse Kragh Sørensen, Mickaël G. Delcey, Rahul V. Pinjari and Marcus Lundberg
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
Theoretical analysis of NMR shieldings in XSe and XTe (X = Si, Ge, Sn and Pb): the spin-rotation constant saga
Taye Beyene Demissie
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
About the electronic and photophysical properties of iridium(III)-pyrazino[2,3-f][1,10]-phenanthroline based complexes for use in electroluminescent devices
Diego Cortés-Arriagada, Luis Sanhueza, Iván González, Paulina Dreyse and Alejandro Toro-Labbé
Phys. Chem. Chem. Phys., Vol: 18, No: 2 , published: 14 January 2016
TD-DFT study of the light-induced spin crossover of Fe(III) complexes
Sergi Saureu and Coen de Graaf
Phys. Chem. Chem. Phys., Vol: 18, No: 2 , published: 14 January 2016
Gas-phase structure of 2,2,2-trichloroethyl chloroformate studied by electron diffraction and quantum-chemical calculations
Diego M. Gil, María E. Tuttolomondo, Sebastian Blomeyer, Christian G. Reuter, Norbert W. Mitzel and Aída Ben Altabef
Phys. Chem. Chem. Phys., Vol: 18, No: 1 , published: 07 January 2016
Photophysics of Auramine-O: electronic structure calculations and nonadiabatic dynamics simulations
Bin-Bin Xie, Shu-Hua Xia, Xue-Ping Chang and Ganglong Cui
Phys. Chem. Chem. Phys., Vol: 18, No: 1 , published: 07 January 2016
Hydrogen-bonded 4H-1-benzopyrane-4-thione–water complexes properties in the S2 excited state: the mechanism and dynamics of deactivation
E. Krystkowiak, R. A. Bachorz and A. Maciejewski
Phys. Chem. Chem. Phys., Vol: 18, No: 1 , published: 07 January 2016
Компьютерное моделирование механизма изомеризации и спектральных характеристик спиро[1,3,4]оксадиазинов
В. И. Минкин, А. А. Старикова
Изв. РАН. Сер. хим., Vol: 2016, No: 1 , published: 01 January 2016
Определение электронных переходов в УФ- и видимой областях спектра в молекулах рифампицина
XIV Международная конференция по люминесценции и лазерной физике (ЛЛФ-2014), Россия, 30 июня – 5 июля, 2014 г.
Илларионова Е.А., Илларионов А.И., Никонович О.Л.
Изв. РАН. Сер. физ., Vol: 80, No: 1 , published: 01 January 2016
СИНТЕЗ И СТРОЕНИЕ 1-[(3-ГИДРОКСИБЕНЗО[B]ТИОФЕН-2-ИЛ)МЕТИЛИДЕН]-3-ОКСО-5-ФЕНИЛПИРАЗОЛИДИН-1-ИЙ-2-ИДА
Попова О.С., Брень В.А., Ткачев В.В., Утенышев А.Н., Ревинский Ю.В., Тихомирова К.С., Рыбалкин В.П., Стариков А.Г., Бородкин Г.С., Дубоносов А.Д., Шилов Г.В., Алдошин С.М., Минкин В.И.
Докл. РАН, Vol: 471, No: 1 , published: 01 January 2016
High resolution absolute absorption cross sections of the [B with combining tilde]1A′–[X with combining tilde]1A′ transition of the CH2OO biradical
Elizabeth S. Foreman, Kara M. Kapnas, YiTien Jou, Jarosław Kalinowski, David Feng, R. Benny Gerber and Craig Murray
Phys. Chem. Chem. Phys., Vol: 17, No: 48 , published: 28 December 2015
Photoinduced water splitting via benzoquinone and semiquinone sensitisation
Tolga N. V. Karsili, Deniz Tuna, Johannes Ehrmaier and Wolfgang Domcke
Phys. Chem. Chem. Phys., Vol: 17, No: 48 , published: 28 December 2015
Modulation of ultrafast photoinduced electron transfer in H-bonding environment: PET from aniline to coumarin 153 in the presence of an inert co-solvent cyclohexane
Nabajeet Barman, Tousif Hossen, Koushik Mondal and Kalyanasis Sahu
Phys. Chem. Chem. Phys., Vol: 17, No: 48 , published: 28 December 2015
A novel class of compounds—superalkalides: M+(en)3M3′O (M, M′ = Li, Na, and K; en = ethylenediamine)—with excellent nonlinear optical properties and high stabilities
Jinmei Mai, Shida Gong, Nan Li, Qiong Luo and Zhiru Li
Phys. Chem. Chem. Phys., Vol: 17, No: 43 , published: 21 December 2015
π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals
Yoshio Teki, Sadaharu Miyamoto and Kentaro Koide
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
β-Carotene Revisited by Transient Absorption and Stimulated Raman Spectroscopy
Martin Quick, Marc-André Kasper, Celin Richter, Dr. Rainer Mahrwald, Alexander L. Dobryakov, Sergey A. Kovalenko and Nikolaus P. Ernsting
ChemPhysChem., Vol: 16, No: 18 , published: 21 December 2015
Ligand influence on the electronic spectra of monocationic copper–bipyridine complexes
Shuang Xu, Samer Gozem, Anna I. Krylov, Casey R. Christopher and J. Mathias Weber
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Spectral lineshapes in nonlinear electronic spectroscopy
Artur Nenov, Angelo Giussani, Benjamin P. Fingerhut, Ivan Rivalta, Elise Dumont, Shaul Mukamel and Marco Garavelli
Phys. Chem. Chem. Phys., Vol: 17, No: 46 , published: 14 December 2015
Vibronic couplings and coherent electron transfer in bridged systems
Raffaele Borrelli, Amedeo Capobianco, Alessandro Landi and Andrea Peluso
Phys. Chem. Chem. Phys., Vol: 17, No: 46 , published: 14 December 2015
Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds
Kenta Kanosue and Shinji Ando
Phys. Chem. Chem. Phys., Vol: 17, No: 45 , published: 07 December 2015
DOS and electron attachment effects in the electron-induced vibrational excitation of terphenylthiol SAMs
J. Houplin, L. Amiaud, C. Dablemont and A. Lafosse
Phys. Chem. Chem. Phys., Vol: 17, No: 45 , published: 07 December 2015
Theoretical Study on the Dual Behavior of XeO3 and XeF4 toward Aromatic Rings: Lone Pair–π versus Aerogen–π Interactions
Antonio Bauzá and Antonio Frontera
ChemPhysChem., Vol: 16, No: 17 , published: 01 December 2015
Theoretical description of efficiency enhancement in DSSCs sensitized by newly synthesized heteroleptic Ru complexes
Yavar T. Azar and Mahmoud Payami
Phys. Chem. Chem. Phys., Vol: 17, No: 44 , published: 28 November 2015
On the structure and bonding in the B4O4+ cluster: a boron oxide analogue of the 3,5-dehydrophenyl cation with π and σ double aromaticity
Ting Ou, Wen-Juan Tian, Xue-Rui You, Ying-Jin Wang, Kang Wang and Hua-Jin Zhai
Phys. Chem. Chem. Phys., Vol: 17, No: 44 , published: 28 November 2015
Строение и спектры ЯМР 1Н и 13С N-(ω-алкоксиэтил)-N-(2-гидроксиэтил)-N,N-диметиламмонийхлоридов
А. С. Перегудов, О. И. Артюшин, К. В. Царькова, Н. А. Бондаренко
Изв. РАН. Сер. хим., Vol: 2015, No: 11 , published: 01 November 2015
Фторалкилированные производные 3,6-ди(трет-бутил)-о-бензохинона
В. К. Черкасов, Н. О. Дружков, А. А. Золотухин, А. С. Шавырин, Е. Н. Егорова
Изв. РАН. Сер. хим., Vol: 2015, No: 11 , published: 01 November 2015
Structures, Dynamic Behavior, and Spectroscopic Properties of 1,8-Anthrylene–Ethenylene Cyclic Dimers and Their Substituent Effects
Masataka Inoue, Tetsuo Iwanaga, Shinji Toyota
Bull. Chem. Soc. Jpn., Vol: 88, No: 11 , published: 01 November 2015
Intra- and Intermolecular Reactivity of Triplet Sumanenetrione
Kousei Kanahara, MD Mizanur Rahman Badal, Sayaka Hatano, Manabu Abe, Shuhei Higashibayashi, Naoto Takashina, Hidehiro Sakurai
Bull. Chem. Soc. Jpn., Vol: 88, No: 11 , published: 01 November 2015
Quantum-beat Auger spectroscopy
Song Bin Zhang and Nina Rohringer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 26 October 2015
UV spectroscopy of cold ions as a probe of the protonation site
Géraldine Féraud, Natalia Esteves-López, Claude Dedonder-Lardeux and Christophe Jouvet
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
The Soret absorption band of isolated chlorophyll a and b tagged with quaternary ammonium ions
Mark H. Stockett, Lihi Musbat, Christina Kjær, Jørgen Houmøller, Yoni Toker, Angel Rubio, Bruce F. Milne and Steen Brøndsted Nielsen
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Diastereo-specific conformational properties of neutral, protonated and radical cation forms of (1R,2S)-cis- and (1R,2R)-trans-amino-indanol by gas phase spectroscopy
Aude Bouchet, Johanna Klyne, Giovanni Piani, Otto Dopfer and Anne Zehnacker
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Characterizing gaseous peptide structure with action-EET and simulated annealing
Nathan G. Hendricks and Ryan R. Julian
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Spectroscopic studies of kinetically trapped conformations in the gas phase: the case of triply protonated bradykinin
Liudmila Voronina and Thomas R. Rizzo
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
A comprehensive study of cold protonated tyramine: UV photodissociation experiments and ab initio calculations
Michel Broquier, Satchin Soorkia and Gilles Grégoire
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Ultraviolet photodissociation action spectroscopy of gas-phase protonated quinoline and isoquinoline cations
Christopher S. Hansen, Stephen J. Blanksby and Adam J. Trevitt
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Bonding of heme FeIII with dioxygen: observation and characterization of an incipient bond
Léa Ferrand, Satchin Soorkia, Gilles Grégoire, Michel Broquier, Benoît Soep and Niloufar Shafizadeh
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Electronic structure and conformational flexibility of D-cycloserine
Antonello Filippi, Caterina Fraschetti, Felice Grandinetti, Maurizio Speranza, Aurora Ponzi, Piero Decleva and Stefano Stranges
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Charge transfer in MOH(H2O)+ (M = Mn, Fe, Co, Ni, Cu, Zn) complexes revealed by vibrational spectroscopy of mass-selected ions
Brett M. Marsh, Jia Zhou and Etienne Garand
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Bond angle variations in XH3 [X = N, P, As, Sb, Bi]: the critical role of Rydberg orbitals exposed using a diabatic state model
Jeffrey R. Reimers, Laura K. McKemmish, Ross H. McKenzie and Noel S. Hush
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Theoretical spectroscopic studies on chemical and electronic structures of arginylglycine
Hongbao Li, Leilei Li, Jun Jiang, Zijing Lin and Yi Luo
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
A wavelength dependent investigation of the indole photophysics via ionization and fragmentation pump–probe spectroscopies
T. J. Godfrey, Hui Yu, Michael S. Biddle and Susanne Ullrich
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
π-Hole aerogen bonding interactions
Antonio Bauzá and Antonio Frontera
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Effect of electron-donating substituent groups on aromatic ring on photoluminescence properties of complexes of benzoic acid-functionalized polysulfone with Eu(III) ions
Baojiao Gao, Lulu Chen and Tao Chen
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Dynamics of the C 1sπ* excitation and decay in CO2 probed by vibrationally and angularly resolved Auger spectroscopy
E. Antonsson, M. Patanen, C. Nicolas, S. Benkoula, J. J. Neville, V. L. Sukhorukov, J. D. Bozek, Ph. V. Demekhin, and C. Miron
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 12 October 2015
Characterizing the dark state in thymine and uracil by double resonant spectroscopy and quantum computation
M. Ligare, F. Siouri, O. Bludsky, D. Nachtigallová and M. S. de Vries
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
The influence of large-amplitude librational motion on the hydrogen bond energy for alcohol–water complexes
J. Andersen, J. Heimdal and R. Wugt Larsen
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
How CO2 Interacts with Carboxylic Acids: A Rotational Study of Formic Acid–CO2
Annalisa Vigorito, Qian Gou, Camilla Calabrese, Sonia Melandri, Assimo Maris, Walther Caminati
ChemPhysChem., Vol: 16, No: 14 , published: 05 October 2015
Азотсодержащие аналоги бензоилацетоната дифторида бора: синтез, строение, люминесценция и квантово-химическое моделирование
Г. О. Третьякова, Б. В. Буквецкий, Е. В. Федоренко, А. Ю. Белолипцев, А. Г. Мирочник
Изв. РАН. Сер. хим., Vol: 2015, No: 10 , published: 01 October 2015
Quantum bottlenecks and unidirectional energy flow in molecules
David M. Leitner and Hari Datt Pandey
Annalen der Physik , Vol: 527, No: 9-10 , published: 01 October 2015
Towards an understanding of the singlet–triplet splittings in conjugated hydrocarbons: azulene investigated by anion photoelectron spectroscopy and theoretical calculations
Stefan Vosskötter, Paul Konieczny, Christel M. Marian and Rainer Weinkauf
Phys. Chem. Chem. Phys., Vol: 17, No: 36 , published: 28 September 2015
Hyperconjugation in diethyl ether cation versus diethyl sulfide cation
Masato Morita, Yoshiyuki Matsuda, Tomoya Endo, Naohiko Mikami, Asuka Fujii and Kaito Takahashi
Phys. Chem. Chem. Phys., Vol: 17, No: 36 , published: 28 September 2015
Lyman-series emission after valence and core excitation of water vapor
A. Hans, A. Knie, Ph. Schmidt, L. Ben Ltaief, C. Ozga, Ph. Reiß, H. Huckfeldt, M. Förstel, U. Hergenhahn, and A. Ehresmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 24 September 2015
Model for the hyperfine structure of electronically excited KCs molecules
A. Orbán, R. Vexiau, O. Krieglsteiner, H.-C. Nägerl, O. Dulieu, A. Crubellier, and N. Bouloufa-Maafa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 21 September 2015
Coordination structure and charge transfer in microsolvated transition metal hydroxide clusters [MOH]+(H2O)1–4
Brett M. Marsh, Jonathan M. Voss, Jia Zhou and Etienne Garand
Phys. Chem. Chem. Phys., Vol: 17, No: 35 , published: 21 September 2015
Soft X-ray absorption spectroscopy of Ar2 and ArNe dimers and small Ar clusters
Ghazal Jabbari, Tsveta Miteva, Vasili Stumpf, Kirill Gokhberg, Patrick O'Keeffe, Alessandra Ciavardini, Paola Bolognesi, Marcello Coreno, Lorenzo Avaldi, Elham Keshavarz, Maryam Ghandehari, Manijeh Tozihi, Carlo Callegari, Michele Alagia, Kevin Charles Prince, Antti Kivimäki and Robert Richter
Phys. Chem. Chem. Phys., Vol: 17, No: 34 , published: 14 September 2015
Circular Dichroism of Amino Acids: Following the Structural Formation of Phenylalanine
Nadav Amdursky, Molly M. Stevens
ChemPhysChem., Vol: 16, No: 13 , published: 14 September 2015
A Density Functional Study of the Nonlinear Optical Properties of Edge-Functionalized Nonplanar Nanographenes
Yafei Dai, Zhenyu Li, Jinlong Yang
ChemPhysChem., Vol: 16, No: 13 , published: 14 September 2015
Predicting near-UV electronic circular dichroism in nucleosomal DNA by means of DFT response theory
Patrick Norman, Joseph Parello, Prasad L. Polavarapu and Mathieu Linares
Phys. Chem. Chem. Phys., Vol: 17, No: 34 , published: 14 September 2015
Investigating the ultimate accuracy of Doppler-broadening thermometry by means of a global fitting procedure
Pasquale Amodio, Maria Domenica De Vizia, Luigi Moretti, and Livio Gianfrani
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 08 September 2015
Электролюминесценция галогеновых комплексов с одновалентной медью: осид-устройства и DFT-моделирование
Валиев Р.Р., Минаев Б.Ф., Гадиров Р.М., Никонова Е.Н., Солодова Т.А., Никонов С.Ю., Бушуев М.Б., Копылова Т.Н.
Изв. вузов. Физ., Vol: 58, No: 9 , published: 01 September 2015
Molecular pillar supported graphene oxide framework: conformational heterogeneity and tunable d-spacing
Harshal P. Mungse, Raghuvir Singh, Hiroyuki Sugimura, N. Kumar, Om P. Khatri
Phys. Chem. Chem. Phys., Vol: 17, No: 32 , published: 28 August 2015
DFT study on endohedral and exohedral B38 fullerenes: M@B38 (M = Sc, Y, Ti) and M&B38 (M = Nb, Fe, Co, Ni)
Qi Liang Lu, Qi Quan Luo, Yi De Li and Shou Guo Huang
Phys. Chem. Chem. Phys., Vol: 17, No: 32 , published: 28 August 2015
Structure–property relationship of donor–acceptor acridones – an optical, electrochemical and computational study
K. D. Thériault, C. Radford, M. Parvez, B. Heyne, T. C. Sutherland
Phys. Chem. Chem. Phys., Vol: 17, No: 32 , published: 28 August 2015
An ultrafast spectroscopic and quantum mechanical investigation of multiple emissions in push–pull pyridinium derivatives bearing different electron donors
B. Carlotti, E. Benassi, A. Cesaretti, C. G. Fortuna, A. Spalletti, V. Barone, F. Elisei
Phys. Chem. Chem. Phys., Vol: 17, No: 32 , published: 28 August 2015
Insights from the computational studies on the oxidized as-isolated state of [NiFeSe] hydrogenase from D. vulgaris Hildenborough
Swaminathan Angeline Vedha, Gunasekaran Velmurugan, Rajangam Jagadeesan and Ponnambalam Venuvanalingam
Phys. Chem. Chem. Phys., Vol: 17, No: 32 , published: 28 August 2015
Complexes of a naphthalimide photoacid with organic bases, and their excited-state dynamics in polar aprotic organic solvents
Tatu Kumpulainen, Bert H. Bakker, Albert M. Brouwer
Phys. Chem. Chem. Phys., Vol: 17, No: 32 , published: 28 August 2015
Probing the coordination environment of Ti3+ ions coordinated to nitrogen-containing Lewis bases
E. Morra, S. Maurelli, M. Chiesa, S. Van Doorslaer
Phys. Chem. Chem. Phys., Vol: 17, No: 32 , published: 28 August 2015
Computational simulation and interpretation of the low-lying excited electronic states and electronic spectrum of thioanisole
Shaohong L. Li, Xuefei Xu and Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 17, No: 31 , published: 21 August 2015
A theoretical study of sum-frequency generation for chiral solutions near electronic resonance
Ren-hui Zheng, Wen-mei Wei and Qiang Shi
Phys. Chem. Chem. Phys., Vol: 17, No: 31 , published: 21 August 2015
Fourier transform microwave spectroscopy of Ac-Ser-NH2: the role of side chain interactions in peptide folding
Carlos Cabezas, Martinus A. T. Robben, Anouk M. Rijs, Isabel Peña and J. L. Alonso
Phys. Chem. Chem. Phys., Vol: 17, No: 31 , published: 21 August 2015
Conformational steering in dicarboxy acids: the native structure of succinic acid
Michaela K. Jahn, Estibaliz Méndez, K. P. Rajappan Nair, Peter D. Godfrey, Don McNaughton, Patricia Écija, Francisco J. Basterretxea, Emilio J. Cocinero and Jens-Uwe Grabow
Phys. Chem. Chem. Phys., Vol: 17, No: 30 , published: 14 August 2015
Assignment of high-lying bending mode levels in the threshold photoelectron spectrum of NH2: a comparison between pyrolysis and fluorine-atom abstraction radical sources
F. Holzmeier, M. Lang, I. Fischer, P. Hemberger, G. A. Garcia, X. Tang and J.-C. Loison
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
Timescales of N–H bond dissociation in pyrrole: a nonadiabatic dynamics study
Marin Sapunar, Aurora Ponzi, Sermsiri Chaiwongwattana, Momir Mališ, Antonio Prlj, Piero Decleva and Nađa Došlić
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
Vibrationally resolved optical spectra of modified diamondoids obtained from time-dependent correlation function methods
Shiladitya Banerjee, Tony Stüker and Peter Saalfrank
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
Spectroscopic and second-order nonlinear optical properties of Ruthenium(II) complexes: a DFT/MRCI and ADC(2) study
Daniel Escudero, Walter Thiel and Benoît Champagne
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
Origins of optical absorption characteristics of Cu2+ complexes in aqueous solutions
S. Roger Qiu, Brandon C. Wood, Paul R. Ehrmann, Stavros G. Demos, Philip E. Miller, Kathleen I. Schaffers, Tayyab I. Suratwala and Richard K. Brow
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
Vibrational spectra and structures of SinC clusters (n = 3–8)
Nguyen Xuan Truong, Marco Savoca, Dan J. Harding, André Fielicke and Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
Distortions of ethyne when complexed with a cuprous or argentous halide: the rotational spectrum of C2H2⋯CuF
Daniel P. Zaleski, Susanna L. Stephens, David P. Tew, Dror M. Bittner, Nicholas R. Walker and Anthony C. Legon
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
P-Type Photochromism of New Helical Naphthopyrans: Synthesis and Photochemical, Photophysical and Theoretical Study
Michel Frigoli, Jérôme Marrot, Pier Luigi Gentili, Denis Jacquemin, Manuela Vagnini, Danilo Pannacci and Fausto Ortica
ChemPhysChem., Vol: 16, No: 11 , published: 03 August 2015
Молекулярная структура метил-N-замещенных хиральных гликольурилов по результатам квантовохимических DFT-расчетов
Абросимов В.К., Жабанов Ю.А., Краснов А.В., Иванов Е.В.
Изв. вузов. Химия и хим. технол., Vol: 58, No: 8 , published: 01 August 2015
Изучение электронного строения каликс[4]арентиоэфиров и их комплексов с палладием методами РФЭС, рентгеновской эмиссионной спектроскопии и квантовой химии
Н. А. Крючкова, Г. А. Костин, Е. В. Коротаев, Л. Н. Мазалов, В. Г. Торгов
Изв. РАН. Сер. хим., Vol: 2015, No: 8 , published: 01 August 2015
Структура гидратной оболочки 1,3-диметил-2-имидазолидинона по данным фурье-спектроскопии комбинационного рассеяния света
В. В. Лазарев, Г. П. Михайлов
Изв. РАН. Сер. хим., Vol: 2015, No: 8 , published: 01 August 2015
Синтез бензоазакраун-эфиров трансформацией макроцикла бензокраун-эфиров и создание комплексообразователей на их основе
С. Н. Дмитриева, А. И. Ведерников, Е. Н. Ушаков, Л. Г. Кузьмина, С. П. Громов
Изв. РАН. Сер. хим., Vol: 2015, No: 8 , published: 01 August 2015
Первичные фотофизические и фотохимические процессы при УФ-возбуждении комплексов PtBr62– и PtCl62– в воде и метаноле
И. П. Поздняков, Е. М. Глебов, С. Г. Матвеева, В. Ф. Плюснин,,б А. А. Мельников, С. В. Чекалин
Изв. РАН. Сер. хим., Vol: 2015, No: 8 , published: 01 August 2015
Влияние числа якорных групп на фотофизические свойства координационных соединений, составных компонентов сенсибилизированных красителем солнечных элементов
А. А. Цатурян, И. Н. Щербаков, В. А. Коган , Т. В. Швыдко
Изв. РАН. Сер. хим., Vol: 2015, No: 8 , published: 01 August 2015
Катионозависимые спектральные свойства флуоресцентного комплексона на основе 1,8-нафталимида c РЕТ-механизмом оптического отклика
П. А. Панченко, В. В. Пак, О. А. Федорова, Ю. В. Федоров, Е. А. Катаев
Изв. РАН. Сер. хим., Vol: 2015, No: 8 , published: 01 August 2015
Координационные соединения DyIII и NdIII с биспиколиламидразонами малоновой и янтарной кислот
А. Н. Гусев, В. Ф. Шульгин, Н. Н. Ефимов, В. В. Минин, Г. Г. Александров, И. Л. Еременко
Изв. РАН. Сер. хим., Vol: 2015, No: 8 , published: 01 August 2015
Фотоэлектронная спектроскопия и электронная структура β-дикетонатных комплексов редкоземельных элементов
В. И. Вовна, В. В. Короченцев, А. И. Чередниченко, А. В. Шурыгин
Изв. РАН. Сер. хим., Vol: 2015, No: 8 , published: 01 August 2015
Energy transfer and spectroscopic characterization of a perylenetetracarboxylic diimide (PDI) hexamer
Saran Long, Yingying Wang, Silvije Vdović, Meng Zhou, Linyin Yan, Yingli Niu, Qianjin Guo and Andong Xia
Phys. Chem. Chem. Phys., Vol: 17, No: 28 , published: 28 July 2015
Probing the π → π* photoisomerization mechanism of cis-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulation
Le Yu, Chao Xu and Chaoyuan Zhu
Phys. Chem. Chem. Phys., Vol: 17, No: 27 , published: 21 July 2015
Exploring the nature of the excitation energies in [Re63-Q8)X6]4− clusters: a relativistic approach
Walter A. Rabanal-León, Juliana A. Murillo-López, Dayán Páez-Hernández and Ramiro Arratia-Pérez
Phys. Chem. Chem. Phys., Vol: 17, No: 27 , published: 21 July 2015
Vibronic bandshape of the absorption spectra of dibenzoylmethanatoboron difluoride derivatives: analysis based on ab initio calculations
Pavel S. Rukin, Alexandra Ya. Freidzon, Andrei V. Scherbinin, Vyacheslav A. Sazhnikov, Alexander A. Bagaturyants and Michael V. Alfimov
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
Exploring the comparative binding aspects of benzophenanthridine plant alkaloid chelerythrine with RNA triple and double helices: a spectroscopic and calorimetric approach
Lucy Haque, Ankur Bikash Pradhan, Sutanwi Bhuiya and Suman Das
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
Negative ion states of 5-bromouracil and 5-iodouracil
F. Kossoski and M. T. do N. Varella
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
Ternary B2X2H2 (X = O and S) rhombic clusters and their potential use as inorganic ligands in sandwich-type (B2X2H2)2Ni complexes
Da-Zhi Li, Li-Juan Zhang, Ting Ou, Hai-Xia Zhang, Ling Pei, Hua-Jin Zhai and Si-Dian Li
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
Understanding of matrix embedding: a theoretical spectroscopic study of CO interacting with Ar clusters, surfaces and matrices
K. Mahjoubi, D. M. Benoit, N.-E. Jaidane, M. Mogren Al-Mogren and M. Hochlaf
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
On the tunneling instability of a hypercoordinated carbocation
Sebastian Kozuch
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
Effects of bimetallic doping on small cyclic and tubular boron clusters: B7M2 and B14M2 structures with M = Fe, Co
Hung Tan Pham and Minh Tho Nguyen
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
Experimental and theoretical studies of the coupled A1Σ+ and b3Π states of NaK
Heather Harker, Patrick Crozet, Amanda J. Ross, Kara Richter, Joshua Jones, Carl Faust, John Huennekens, Andrey V. Stolyarov, Houssam Salami, and Thomas Bergeman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 06 July 2015
Синтез трехъядерного комплекса трис(4-трифенилметилфенокси)замещенного гемигексафиразина с CuII и радиопротекторные свойства его водорастворимой формы
Е. А. Данилова, М. К. Исляйкин, С. Ю. Штрыголь
Изв. РАН. Сер. хим., Vol: 2015, No: 7 , published: 01 July 2015
Photoisomerization and Photoinduced Intramolecular Hydrogen Atom Transfer of 2-[2-(2-Pyrrolyl)ethenyl]pyridine Derivatives
Seiya Kurihara, Yoshinobu Nishimura, Tatsuo Arai
Bull. Chem. Soc. Jpn., Vol: 88, No: 7 , published: 01 July 2015
Ab initio study of the O4H+ novel species: spectroscopic fingerprints to aid its observation
F. George D. Xavier and Rámon Hernández-Lamoneda
Phys. Chem. Chem. Phys., Vol: 17, No: 24 , published: 28 June 2015
Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate EuIII complexes
Tianyu Zhu, Peng Chen, Hongfeng Li, Wenbin Sun, Ting Gao and Pengfei Yan
Phys. Chem. Chem. Phys., Vol: 17, No: 24 , published: 28 June 2015
Metastable charge-transfer state of californium(III) compounds
Guokui Liu, Samantha K. Cary and Thomas E. Albrecht-Schmitt
Phys. Chem. Chem. Phys., Vol: 17, No: 24 , published: 28 June 2015
Study of Electronic, Optical Absorption and Emission in Pure and Metal-Decorated Graphene Nanoribbons (C29H14-X; X=Ni, Fe, Ti, Co+, Al+, Cu+): First Principles Calculations
Siddheshwar Chopra
ChemPhysChem., Vol: 16, No: 9 , published: 22 June 2015
Photoemission Studies on N-Substituted Dithienylated Phenothiazines
Mathias Fingerle, Maximilian Hemgesberg, Yvonne Schmitt, Stefan Lach, Markus Gerhards,  Werner R. Thiel and Christiane Ziegler
ChemPhysChem., Vol: 16, No: 9 , published: 22 June 2015
Acetyl Methyl Torsion in N-Ethylacetamide: A Challenge for Microwave Spectroscopy and Quantum Chemistry
Raphaela Kannengießer, Marcel J. Lach, Wolfgang Stahl and Ha Vinh Lam Nguyen
ChemPhysChem., Vol: 16, No: 9 , published: 22 June 2015
Новые тиенофлуорантены в качестве “строительных блоков” для оптоэлектронного применения
Кештов М.Л., Годовский Д.Ю., Куклин С.А., Цзоу (Y. Zou) И., Чен (F. Сh. Chen) Ф.Ч., Хохлов А.Р.
Докл. РАН, Vol: 461, No: 2 , published: 15 June 2015
Direct observation of breaking of the intramolecular H-bond, and slowing down of the proton motion and tuning its mechanism in an HBO derivative
Noemí Alarcos, Mario Gutiérrez, Marta Liras, Félix Sánchez, Miquel Moreno and Abderrazzak Douhal
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Excited state dynamics of thiophene and bithiophene: new insights into theoretically challenging systems
Antonio Prlj, Basile F. E. Curchod and Clémence Corminboeuf
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Unusual high fluorescence of two nitro-distyrylbenzene-like compounds induced by CT processes affecting the fluorescence/intersystem-crossing competition
B. Carlotti, F. Elisei, U. Mazzucato and A. Spalletti
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Electronically excited states of PANH anions
Mallory L. Theis, Alessandra Candian, Alexander G. G. M. Tielens, Timothy J. Lee and Ryan C. Fortenberry
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
The structure and stability of reduced and oxidized mononuclear platinum species on nanostructured ceria from density functional modeling
Hristiyan A. Aleksandrov, Konstantin M. Neyman and Georgi N. Vayssilov
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Characterization of Znq+–imidazole (q = 0, 1, 2) organometallic complexes: DFT methods vs. standard and explicitly correlated post-Hartree–Fock methods
K. Boussouf, R. Boulmene, M. Prakash, N. Komiha, M. Taleb, M. Mogren Al-Mogren and M. Hochlaf
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Investigating the molecular and aggregated states of a drug molecule rutaecarpine using spectroscopy, microscopy, crystallography and computational studies
Shiba Sundar Dandpat and Moloy Sarkar
Phys. Chem. Chem. Phys., Vol: 17, No: 21 , published: 07 June 2015
Time-resolved IR spectroscopy of a trinuclear palladium complex in solution
M. Zimmer, F. Rupp, P. Singer, F. Walz, F. Breher, W. Klopper, R. Diller and M. Gerhards
Phys. Chem. Chem. Phys., Vol: 17, No: 21 , published: 07 June 2015
High-resolution X-ray absorption spectroscopy of iron carbonyl complexes
Andrew J. Atkins, Matthias Bauer and Christoph R. Jacob
Phys. Chem. Chem. Phys., Vol: 17, No: 21 , published: 07 June 2015
The Jahn–Teller effect in the presence of partial isotopic substitution: the [B with combining tilde]1E′′ state of NH2D and NHD2
Ashim Kumar Saha, Gautam Sarma, Chung-Hsin Yang, Sebastiaan Y. T. van de Meerakker, David H. Parker and Colin M. Western
Phys. Chem. Chem. Phys., Vol: 17, No: 21 , published: 07 June 2015
Фотофизические свойства порфиринов со стерически искаженным и частично экранированным макроциклом
Ивашин Н.В., Щупак Е.Е., Панарин А.Ю., Сагун Е.И.
Оптика и спектроскопия, Vol: 118, No: 6 , published: 01 June 2015
Разработка общих подходов к спектрофотометрическому определению фенольных соединений в лекарственном растительном сырье и препаратах на его основе
А. И. Марахова
Изв. РАН. Сер. хим., Vol: 2015, No: 6 , published: 01 June 2015
Фотохимия N-замещенных амидов салициловой кислоты
И. П. Поздняков, Н. М. Сторожок, Н. П. Медяник, С. А. Креков, В. Е. Борисенко, А. П. Крысин, В. Ф. Плюснин, В. П. Гривин
Изв. РАН. Сер. хим., Vol: 2015, No: 6 , published: 01 June 2015
Excited state lifetimes and energies of okenone and chlorobactene, exemplary keto and non-keto aryl carotenoids
Dariusz M. Niedzwiedzki and Laura Cranston
Phys. Chem. Chem. Phys., Vol: 17, No: 20 , published: 28 May 2015
A kinetic and thermochemical database for organic sulfur and oxygen compounds
Caleb A. Class, Jorge Aguilera-Iparraguirre and William H. Green
Phys. Chem. Chem. Phys., Vol: 17, No: 20 , published: 28 May 2015
Spectral dependence of nonlinear optical properties of symmetrical octatetraynes with p-substituted phenyl end-groups
Agata Arendt, Radosław Kołkowski, Marek Samoc and Sławomir Szafert
Phys. Chem. Chem. Phys., Vol: 17, No: 20 , published: 28 May 2015
Gas-phase chemistry of technetium carbonyl complexes
Yang Wang, Zhi Qin, Fang-Li Fan, Hiromitsu Haba, Yukiko Komori, Shi-Wei Cao, Xiao-Lei Wu and Cun-Min Tan
Phys. Chem. Chem. Phys., Vol: 17, No: 20 , published: 28 May 2015
Geometries, stabilities and fragmental channels of neutral and charged sulfur clusters: SnQ (n = 3–20, Q = 0, ±1)
Yuanyuan Jin, George Maroulis, Xiaoyu Kuang, Liping Ding, Cheng Lu, Jingjing Wang, Jian Lv, Chuanzhao Zhang and Meng Ju
Phys. Chem. Chem. Phys., Vol: 17, No: 20 , published: 28 May 2015
The first UV absorption band for indole is not due to two simultaneous orthogonal electronic transitions differing in dipole moment
Javier Catalán
Phys. Chem. Chem. Phys., Vol: 17, No: 19 , published: 21 May 2015
Structure and energetics of the anisole–Arn (n = 1, 2, 3) complexes: high-resolution resonant two-photon and threshold ionization experiments, and quantum chemical calculations
Federico Mazzoni, Maurizio Becucci, Jan Řezáč, Dana Nachtigallová, François Michels, Pavel Hobza and Klaus Müller-Dethlefs
Phys. Chem. Chem. Phys., Vol: 17, No: 19 , published: 21 May 2015
Effect of the π Bridge and Acceptor on Intramolecular Charge Transfer in Push–Pull Cationic Chromophores: An Ultrafast Spectroscopic and TD-DFT Computational Study
Benedetta Carlotti, Enrico Benassi, Vincenzo Barone, Giuseppe Consiglio, Fausto Elisei, Alessandra Mazzoli and Anna Spalletti
ChemPhysChem., Vol: 16, No: 7 , published: 19 May 2015
Photoswitching Behavior of a Cyclohexene-Bridged versus a Cyclopentene-Bridged Dithienylethene System
Torben Steenbock, Alejandra Escribano, Jürgen Heck and Carmen Herrmann
ChemPhysChem., Vol: 16, No: 7 , published: 19 May 2015
How Does Peripheral Functionalization of Ruthenium(II)–Terpyridine Complexes Affect Spatial Charge Redistribution after Photoexcitation at the Franck–Condon Point?
Julia Preiß, Michael Jäger, Sven Rau, Benjamin Dietzek, Jürgen Popp, Todd Martínez and Martin Presselt
ChemPhysChem., Vol: 16, No: 7 , published: 19 May 2015
Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives
Jinfeng Zhao, Junsheng Chen, Jianyong Liu and Mark R. Hoffmann
Phys. Chem. Chem. Phys., Vol: 17, No: 18 , published: 14 May 2015
Theoretical studies on the absorption spectra of cis-[Ru(4,4′-COO-2,2′-bpy)2(X)2]4−, (X = NCS, Cl) and panchromatic trans-terpyridyl Ru complexes including strong spin–orbit coupling
Kenji Mishima, Takumi Kinoshita, Michitoshi Hayashi, Ryota Jono, Hiroshi Segawa, Koichi Yamashita and Sheng Hsien Lin
Phys. Chem. Chem. Phys., Vol: 17, No: 18 , published: 14 May 2015
On the relation of energy and electron transfer in multidimensional chromophores based on polychlorinated triphenylmethyl radicals and triarylamines
Markus Steeger, Stefanie Griesbeck, Alexander Schmiedel, Marco Holzapfel, Ivo Krummenacher, Holger Braunschweig and Christoph Lambert
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
Светодиодная фурье-спектроскопия H2 16 в области 15500-16000 см-1
Синица Л.Н., Сердюков В.И., Васильченко С.С., Быков А.Д., Щербаков А.П., Половцева Е.Р., Калинин К.В.
Оптика и спектроскопия, Vol: 118, No: 5 , published: 01 May 2015
Квантово-химическое исследование строения и электронных спектров поглощения симметричных трифениламиновых олигомеров, сопряженных с виниленовыми, иминовыми, азиновыми и этиленовыми группами
Стромыло Е.В., Барышников Г.В., Минаев Б.Ф., Григорас М.
Оптика и спектроскопия, Vol: 118, No: 5 , published: 01 May 2015
Spontaneous Formation of Gold Nanoparticles with Octa(3-aminopropyl) Polyhedral Oligomeric Silsesquioxane
Hiroaki Imoto, Katsuya Ishida, Ai Sasaki, Yasuyuki Irie, Hideaki Ito, Kensuke Naka, Yoshiki Chujo
Bull. Chem. Soc. Jpn., Vol: 88, No: 5 , published: 01 May 2015
Characterization of the Interaction between Heme and a Parallel G-Quadruplex DNA Formed from d(TTAGGGT)
Haruna Shimizu, Hulin Tai, Kaori Saito, Tomokazu Shibata, Masashi Kinoshita, Yasuhiko Yamamoto
Bull. Chem. Soc. Jpn., Vol: 88, No: 5 , published: 01 May 2015
Collisional relaxation of apocarotenals: identifying the S* state with vibrationally excited molecules in the ground electronic state S0*
Florian Ehlers, Mirko Scholz, Jens Schimpfhauser, Jürgen Bienert, Kawon Oum and Thomas Lenzer
Phys. Chem. Chem. Phys., Vol: 17, No: 16 , published: 28 April 2015
A theoretical benchmark study of the spectroscopic constants of the very heavy rare gas dimers
Avijit Shee, Stefan Knecht and Trond Saue
Phys. Chem. Chem. Phys., Vol: 17, No: 16 , published: 28 April 2015
The study of the electronic structure of some N-heterocyclic carbenes (NHCs) by variable energy photoelectron spectroscopy
Branka Kovač, Ivan Ljubić, Antti Kivimäki, Marcello Coreno and Igor Novak
Phys. Chem. Chem. Phys., Vol: 17, No: 16 , published: 28 April 2015
Electromers of the benzene dimer radical cation
Anna Błoch-Mechkour and Thomas Bally
Phys. Chem. Chem. Phys., Vol: 17, No: 16 , published: 28 April 2015
Characterization of the I(|Ω|=1)X1Σ+(0,0) band of thorium oxide
Damian L. Kokkin, Timothy C. Steimle, and David DeMille
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 27 April 2015
Rotationally resolved state-to-state photoionization and the photoelectron study of vanadium monocarbide and its cations (VC/VC+)
Yih Chung Chang, Zhihong Luo, Yi Pan, Zheng Zhang, Ying-Nan Song, Sophie Yajin Kuang, Qing Zhu Yin, Kai-Chung Lau and C. Y. Ng
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 April 2015
Theoretical research on the effect of regulated π-conjugation on the photophysical properties of Ir(III) complexes
Li-Ming Xie, Fu-Quan Bai, Wei Li, Zhi-Xiang Zhang and Hong-Xing Zhang
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 April 2015
Theoretical understanding of two-photon-induced fluorescence of isomorphic nucleoside analogs
Pralok K. Samanta and Swapan K. Pati
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 April 2015
4-Hydroxy-1-naphthaldehydes: proton transfer or deprotonation
Y. Manolova, V. Kurteva, L. Antonov, H. Marciniak, S. Lochbrunner, A. Crochet, K. M. Fromm, F. S. Kamounah and P. E. Hansen
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 April 2015
Ultrafast hydrogen bond dynamics and partial electron transfer after photoexcitation of diethyl ester of 7-(diethylamino)-coumarin-3-phosphonic acid and its benzoxaphosphorin analog
M. S. Wagner, E. D. Ilieva, P. St. Petkov, R. D. Nikolova, R. Kienberger and H. Iglev
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 April 2015
Manipulation of resonant Auger processes using a strong bichromatic field
Souvik Chatterjee and Takashi Nakajima
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 21 April 2015
NEXAFS and XPS studies of nitrosyl chloride
Luca Schio, Cui Li, Susanna Monti, Peter Salén, Vasyl Yatsyna, Raimund Feifel, Michele Alagia, Robert Richter, Stefano Falcinelli, Stefano Stranges, Vitali Zhaunerchyk and Vincenzo Carravetta
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
The propargylbenzene dimer: C–H⋯π assisted π–π stacking
Aniket Kundu, Saumik Sen and G. Naresh Patwari
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Tailoring the optical properties of lanthanide phosphors: prediction and characterization of the luminescence of Pr3+-doped LiYF4
Harry Ramanantoanina, Werner Urland, Benjamin Herden, Fanica Cimpoesu and Claude Daul
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Агрегационное состояние амфифильных катионных производных тетрафенилпорфирина в водных микрогетерогенных системах
М. А. Градова, К. А. Жданова, Н. А. Брагина, А. В. Лобанов, М. Я. Мельников
Изв. РАН. Сер. хим., Vol: 2015, No: 4 , published: 01 April 2015
Дикарбонильные хелаты из 1-цимантренилалкиламидов: образование, свойства и кинетика темновой реакции с монооксидом углерода
Е. С. Келбышева, Л. Н. Телегина, И. А. Годовиков, Т. В. Стрелкова, Ю. А. Борисов, М. Г. Езерницкая, Б. В. Локшин, Н. М. Лойм
Изв. РАН. Сер. хим., Vol: 2015, No: 4 , published: 01 April 2015
Synthesis and Photophysical Properties of Extended π-Conjugative and Push–Pull-Type 1,4-Diaryl-1-thio-1,3-butadienes Incorporated in a Dibenzobarrelene Skeleton
Tatsuro Annaka, Norio Nakata, Akihiko Ishii
Bull. Chem. Soc. Jpn., Vol: 88, No: 4 , published: 01 April 2015
Строение и реакции конденсации бородифторидных комплексов ряда ацил(гидрокси)пиридо[1,2-a]индолов
К. В. Тамбов, А. В. Манаев, М. И. Базылева, М. Г. Медведев, И. Е. Ушаков, В. Ф. Травень
Изв. РАН. Сер. хим., Vol: 2015, No: 4 , published: 01 April 2015
Synthesis and Photophysical Properties of Extended π-Conjugative and Push–Pull-Type 1,4-Diaryl-1-thio-1,3-butadienes Incorporated in a Dibenzobarrelene Skeleton
Tatsuro Annaka, Norio Nakata, Akihiko Ishii
Bull. Chem. Soc. Jpn., Vol: 88, No: 4 , published: 01 April 2015
Redox Properties and Catalytic Ability toward Electrochemical Proton Reduction of Sulfur-Bridged Trinuclear Mo3S4 Complexes Containing Acetate, Trifluoroacetate, and/or Dithiophosphate as Bridging Ligands
Keisuke Kawamoto, Akio Ichimura, Hideki Hashimoto, Isamu Kinoshita, Masakazu Hirotsu, Takanori Nishioka
Bull. Chem. Soc. Jpn., Vol: 88, No: 4 , published: 01 April 2015
Электронные ловушки в полидифениленфталиде и полидифениленсульфофталиде. Экспериментальные проявления и квантово-химический анализ
Н. М. Шишлов, С. Л. Хурсан
Изв. РАН. Сер. хим., Vol: 2015, No: 4 , published: 01 April 2015
A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
Federico Latorre, Julien Guthmuller and Philipp Marquetand
Phys. Chem. Chem. Phys., Vol: 17, No: 12 , published: 28 March 2015
Features of chemical bonds based on the overlap polarizabilities: diatomic and solid-state systems with the frozen-density embedding approach
Renaldo T. Moura Jr., Gian C. S. Duarte, Thiago E. da Silva, Oscar L. Malta and Ricardo L. Longo
Phys. Chem. Chem. Phys., Vol: 17, No: 12 , published: 28 March 2015
N lone-pair⋯π interaction: a rotational study of chlorotrifluoroethylene⋯ammonia
Qian Gou, Lorenzo Spada, Yannick Geboes, Wouter A. Herrebout, Sonia Melandri and Walther Caminati
Phys. Chem. Chem. Phys., Vol: 17, No: 12 , published: 28 March 2015
Molecular beam study of the a3Σ+ state of NaK up to the dissociation limit
I. Temelkov, H. Knöckel, A. Pashov, and E. Tiemann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 23 March 2015
Local structure of semicrystalline P3HT films probed by nanofocused coherent X-rays
Ruslan P. Kurta, Linda Grodd, Eduard Mikayelyan, Oleg Y. Gorobtsov, Ivan A. Zaluzhnyy, Ilaria Fratoddi, Iole Venditti, Maria Vittoria Russo, Michael Sprung, Ivan A. Vartanyants and Souren Grigorian
Phys. Chem. Chem. Phys., Vol: 17, No: 11 , published: 21 March 2015
Theoretical analysis of [5.5.6]cyclacenes: electronic properties, strain energies and substituent effects
Birgit Esser
Phys. Chem. Chem. Phys., Vol: 17, No: 11 , published: 21 March 2015
Electronic structure calculations of ESR parameters of melanin units
Augusto Batagin-Neto, Erika Soares Bronze-Uhle and Carlos Frederico de Oliveira Graeff
Phys. Chem. Chem. Phys., Vol: 17, No: 11 , published: 21 March 2015
Triply twisted Möbius annulene: a new class of two-photon active material – a computational study
Varun Kundi, Md Mehboob Alam and Pompozhi Protasis Thankachan
Phys. Chem. Chem. Phys., Vol: 17, No: 10 , published: 14 March 2015
DFT/TDDFT investigation on the UV-vis absorption and fluorescence properties of alizarin dye
Anna Amat, Costanza Miliani, Aldo Romani and Simona Fantacci
Phys. Chem. Chem. Phys., Vol: 17, No: 9 , published: 07 March 2015
Synthesis and photophysical properties of a “face-to-face” stacked tetracene dimer
Heyuan Liu, Valerie M. Nichols, Li Shen, Setarah Jahansouz, Yuhan Chen, Kerry M. Hanson, Christopher J. Bardeen and Xiyou Li
Phys. Chem. Chem. Phys., Vol: 17, No: 9 , published: 07 March 2015
Tailoring buckybowls for fullerene recognition. A dispersion-corrected DFT study
Daniela Josa, Iván González-Veloso, Jesús Rodríguez-Otero and Enrique M. Cabaleiro-Lago
Phys. Chem. Chem. Phys., Vol: 17, No: 9 , published: 07 March 2015
Estimating successive pKa values of polyprotic acids from ab initio molecular dynamics using metadynamics: the dissociation of phthalic acid and its isomers
Anil Kumar Tummanapelli and Sukumaran Vasudevan
Phys. Chem. Chem. Phys., Vol: 17, No: 9 , published: 07 March 2015
Absolute measurement of radiative and Auger rates of Kshellvacancy states in highly charged Fe ions
R. Steinbrügge, S. Bernitt, S. W. Epp, J. K. Rudolph, C. Beilmann, H. Bekker, S. Eberle, A. Müller, O. O. Versolato, H.-C. Wille, H. Yavaş, J. Ullrich, and J. R. Crespo López-Urrutia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 03 March 2015
Донорно-акцепторная координация анионов атомами халькогенов 1,2,5-халькогенадиазолов
Н. А. Семенов, А. В. Лончаков, Н. П. Грицан, А. В. Зибарев
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
Исследование строения и фотохромных свойств спиропиранов на основе 2-метил-4,6-диформилрезорцина
И. В. Ожогин, В. В. Ткачев, Е. Л. Муханов, Б. С. Лукьянов, А. В. Чернышев, М. Б. Лукьянова, С. М. Алдошин
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
Синтез и фотохимическое исследование супрамолекулярного псевдодимерного комплекса производных 4-стирилпиридиния
Е. Н. Ушаков, А. И. Ведерников, С. К. Сазонов, Л. Г. Кузьмина, М. В. Алфимов, Дж. А. К. Ховард, С. П. Громов
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
Спиропираны и спирооксазины Сообщение 11.* Комплексообразование фотохромного 5-(1,3-бензотиазол-2-ил)замещенного 1´,3´-дигидроcпиро[бензо[f]хромен-3,2´индола] с ионами металлов
И. А. Ростовцева, А. В. Чернышев, В. В. Ткачев, С. М. Алдошин, Н. А. Волошин, А. В. Метелица, Н. И. Макарова, В. И. Минкин
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
Oxidation and Deprotonation of a Ruthenium(II) Complex with Quinoline-2-carbaldehyde (Pyridine-2-carbonyl)hydrazone and Formation of Hydrazonato-Bridged Heterodimetallic Complexes
Asami Mori, Takayoshi Suzuki, Yukinari Sunatsuki, Masaaki Kojima, Kiyohiko Nakajima
Bull. Chem. Soc. Jpn., Vol: 88, No: 3 , published: 01 March 2015
Синтез, строение и свойства хлоридных комплексов редкоземельных металлов {[Ap´Y(THF)](μ2-Cl)23-Cl)Li(THF)}2, {[Ap9MeLn(THF)](μ2-Cl)3Li(THF)2}2 (Ln = Y, Nd, Sm) и {[Ap*Ln(THF)](μ2-Cl)3Li(THF)2}2 (Ln = Nd, Sm), содержащих амидопиридинатные лиганды
Д. М. Любов, В. Ю. Радьков, А. О. Толпыгин, А. В. Черкасов, Г. К. Фукин, А. А. Трифонов
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
Кольчато-кольчатая изомеризация в ряду N-(карбамоил)-1-арил-2,3,4,5,6,7-гексагидро-3-гидрокси-6,6-диметил-2,4-диоксо-1Н-индол-3-карбоксамидов >
Г. С. Бородкин, С. Б. Зайченко, И. Г. Бородкина, Л. В. Белоусова, Л. Ю. Ухин
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
Improved Sensitivity for Imaging Spin Trapped Hydroxyl Radical at 250 MHz
Joshua R. Biller,  Mark Tseitlin,  Deborah G. Mitchell, Zhelin Yu, Laura A. Buchanan, Hanan Elajaili,  Gerald M. Rosen,  Joseph P. Y. Kao, Sandra S. Eaton and Gareth R. Eaton
ChemPhysChem., Vol: 16, No: 3 , published: 23 February 2015
Controlled Tautomeric Switching in Azonaphthols Tuned by Substituents on the Phenyl Ring
Liudmil Antonov, Vera Deneva, Svilen Simeonov, Vanya Kurteva, Aurelien Crochet, Katharina M. Fromm, Boris Shivachev, Rositsa Nikolova, Marika Savarese and Carlo Adamo
ChemPhysChem., Vol: 16, No: 3 , published: 23 February 2015
N-confused porphyrin tautomers: lessons from density functional theory
Gabriel Marchand, Hélène Roy, David Mendive-Tapia and Denis Jacquemin
Phys. Chem. Chem. Phys., Vol: 17, No: 7 , published: 21 February 2015
The lowest triplet states of bridged cis-2,2′-bithiophenes – theory vs. experiment
Marcin Andrzejak, Dariusz W. Szczepanik and Łukasz Orzeł
Phys. Chem. Chem. Phys., Vol: 17, No: 7 , published: 21 February 2015
Artificially maturated [FeFe] hydrogenase from Chlamydomonas reinhardtii: a HYSCORE and ENDOR study of a non-natural H-cluster
Agnieszka Adamska-Venkatesh, Trevor R. Simmons, Judith F. Siebel, Vincent Artero, Marc Fontecave, Edward Reijerse and Wolfgang Lubitz
Phys. Chem. Chem. Phys., Vol: 17, No: 7 , published: 21 February 2015
Production of rovibronic-ground-state RbCs molecules via two-photon-cascade decay
Toshihiko Shimasaki, Michael Bellos, C. D. Bruzewicz, Zack Lasner, and David DeMille
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 11 February 2015
The origin of the absorption spectra of porphyrin N- and dithiaporphyrin S-oxides in their neutral and protonated states
Torsten Bruhn and Christian Brückner
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials
Hainam Do and Nicholas A. Besley
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Ionization potentials and electron affinities of the superheavy elements 115–117 and their sixth-row homologues Bi, Po, and At
A. Borschevsky, L. F. Pašteka, V. Pershina, E. Eliav, and U. Kaldor
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 05 February 2015
Metallofullerenes Encaging Mixed-Metal Clusters: Synthesis and Structural Studies of GdxHo3−xN@C80 and GdxLu3−xN@C80
Zhuxia Zhang, Yang Liu, Peide Han, Shengyi Zhuang, Taishan Wang, Shuchang Luo, Bingshe Xu
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Quantum Mechanical Molecular Interactions for Calculating the Excitation Energy in Molecular Environments: A First-Order Interacting Space Approach
Jun-ya Hasegawa, Kazuma Yanai, Kazuya Ishimura
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
The Spectral–Structural Relationship of a Series of Oxyluciferin Derivatives
Xue Qin Ran, Xin Zhou, John D. Goddard
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Gas Phase Structures of Peroxides: Experiments and Computational Problems
Heinz Oberhammer
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Experimental and DFT studies on the vibrational and electronic spectra of 2-(4,5-phenyl-1H-imidazole-2-yl)-phenol
Ye Yu., Tang G., Tang T., Culnane L.F., Zhao J., Zhang Yu
Оптика и спектроскопия, Vol: 118, No: 2 , published: 01 February 2015
Photophysical Properties of Chlorophyll Derivatives Linked with Rhenium Bipyridine Complexes
Yuichi Kitagawa, Shin Ogasawara, Daisuke Kosumi, Hideki Hashimoto, Hitoshi Tamiaki
Bull. Chem. Soc. Jpn., Vol: 88, No: 2 , published: 01 February 2015
Исследование строения и свойств тетракис-комплексов лантаноидов с N-(бис-(бензиламино)фосфорил)тозиламидом
Притула, А.Ю., Труш, В.А., Слива, Т.Ю., Лицис, Е.О., Недилько, С.Г., Амирханов, В.М.
Доп. Нац. АН Украïни, Vol: 2015, No: 2 , published: 01 February 2015
Реакции синтеза и радикальной полимеризации N-алкил-N,N-диаллил-аминов и их производных
Бегиева М.Б., Паштова Л.Р., Хасанов В.В., Гринева Л.Г., Пахомов С.И., Лигидов М.Х.
Изв. вузов. Химия и хим. технол., Vol: 58, No: 1 , published: 01 January 2015
Exploration of Giant Functional Porphyrin Arrays
Naoki Aratani, Atsuhiro Osuka
Bull. Chem. Soc. Jpn., Vol: 88, No: 1 , published: 01 January 2015
Side Substituent Dependence of Photophysical Properties of 9-Arylanthracene-Based π-Conjugates
Debabrata Jana, Binay K. Ghorai
Bull. Chem. Soc. Jpn., Vol: 88, No: 1 , published: 01 January 2015
Anionic Amidinourea–Metal(II) Tautomers: MN2O2 or MN4?
Masashi Hatanaka
Bull. Chem. Soc. Jpn., Vol: 88, No: 1 , published: 01 January 2015
Синтез, структурные и спектральные исследования комплекса неодима на основе N-[бис(пиролидин-1-ил)фосфорил]-2,2,2-трихлороацетамида
Зновьяк, Е.А., Овчинников, В.А., Слива, Т.Ю., Мороз, О.В., Шишкина, С.В., Амирханов, В.М.
Доп. Нац. АН Украïни, Vol: 2015, No: 1 , published: 01 January 2015
Platinum–hydrogen vibrations and low energy electronic excitations of 13-atom Pt nanoclusters
Melanie Keppeler and Emil Roduner
Phys. Chem. Chem. Phys., Vol: 16, No: 48 , published: 28 December 2014
Excited-state hydrogen-bonding dynamics of camphorsulfonic acid doped polyaniline: a theoretical study
Yahong Zhang, Yuping Duan and Tongmin Wang
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
Au–Au chemical bonding induced by UV irradiation of dinuclear gold(I) complexes: a computational study with experimental evidence
Camille Latouche, Yan-Ru Lin, Yeny Tobon, Eric Furet, Jean-Yves Saillard, Chen-Wei Liu and Abdou Boucekkine
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
Covalent lanthanide(III) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule
Walter A. Rabanal-León, Dayán Páez-Hernández and Ramiro Arratia-Pérez
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
Methyl rotors in flavoproteins
Jesús I. Martínez, Pablo J. Alonso, Inés García-Rubio and Milagros Medina
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
A theoretical study of the intramolecular charge transfer in 4-(dimethylamino)benzethyne
Javier Segarra-Martí and Pedro B. Coto
Phys. Chem. Chem. Phys., Vol: 16, No: 46 , published: 14 December 2014
Molecular dynamics simulations predict an accelerated dissociation of H2CO3 at the air–water interface
Mirza Galib and Gabriel Hanna
Phys. Chem. Chem. Phys., Vol: 16, No: 46 , published: 14 December 2014
Cooling, Spectroscopy and Non-Sticking of trans-Stilbene and Nile Red
Julia Piskorski, David Patterson, Sandra Eibenberger, John M. Doyle
ChemPhysChem., Vol: 15, No: 17 , published: 01 December 2014
Femtosecond Dynamics in the Lactim Tautomer of Phycocyanobilin: A Long-Wavelength Absorbing Model Compound for the Phytochrome Chromophore
Patrick Singer, Sonja Fey, Andreas H. Göller, Gudrun Hermann, Rolf Diller
ChemPhysChem., Vol: 15, No: 17 , published: 01 December 2014
Substitution-Controlled Excited State Processes in Heteroleptic Copper(I) Photosensitizers Used in Hydrogen Evolving Systems
Stefanie Tschierlei, Michael Karnahl, Nils Rockstroh, Henrik Junge, Matthias Beller, Stefan Lochbrunner
ChemPhysChem., Vol: 15, No: 17 , published: 01 December 2014
Квантово-химическое моделирование стадии разрыва связи C—C молекулы пропановой кислоты на малых кластерах палладия
Р. С. Шамсиев, И. Е. Соколов, В. Р. Флид
Изв. РАН. Сер. хим., Vol: 2014, No: 12 , published: 01 December 2014
Relativistic equation-of-motion coupled-cluster method for the ionization problem: Application to molecules
Himadri Pathak, Sudip Sasmal, Malaya K. Nayak, Nayana Vaval, and Sourav Pal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 01 December 2014
Синтез, структура и каталитическая активность новых комплексов алюминия на основе стерически затрудненных лигандов
К. В. Зайцев, Е. А. Кучук, Б. Н. Манкаев, А. В. Чураков, Г. С. Зайцева, Д. А. Леменовский, С. С. Карлов
Изв. РАН. Сер. хим., Vol: 2014, No: 12 , published: 01 December 2014
The electronic structure of perfluorodecalin studied by soft X-ray spectroscopy and electronic structure calculations
T. Brandenburg, M. Agåker, K. Atak, M. Pflüger, C. Schwanke, T. Petit, K. M. Lange, J.-E. Rubensson and E. F. Aziz
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 2014
Effect of torsional twist on 2nd order non-linear optical activity of anthracene and pyrene tricyanofuran derivatives
Miquel Planells, Maddalena Pizzotti, Gary S. Nichol, Francesca Tessore and Neil Robertson
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 2014
Role of the conformational flexibility of evodiamine in its binding to protein hosts: a comparative spectroscopic and molecular modeling evaluation with rutaecarpine
Celesztina Domonkos, Ilona Fitos, Júlia Visy and Ferenc Zsila
Phys. Chem. Chem. Phys., Vol: 16, No: 41 , published: 07 November 2014
Interaction between the guanidinium cation and aromatic amino acids
Ana A. Rodríguez-Sanz, Enrique M. Cabaleiro-Lago and Jesús Rodríguez-Otero
Phys. Chem. Chem. Phys., Vol: 16, No: 41 , published: 07 November 2014
Синтез, фотохимические и люминесцентные свойства (E)-2-(2-гидроксиарилэтилен)-3-фенилхиназолин-4(3H)-онов
И. Г. Овчинникова, Г. А. Ким, Е. Г. Маточкина, М. И. Кодесс, Н. В. Барыкин, О. С. Ельцов, Э. В. Носова, Г. Л. Русинов, В. Н. Чарушин
Изв. РАН. Сер. хим., Vol: 2014, No: 11 , published: 01 November 2014
Синтез, редокс-свойства и электронные характеристики комплексов {Cp*(dppe)FeC≡CC2R[Mo2Cp2(CO)4]}n+
В. А. Конева, Е. С. Тайц, М. Г. Езерницкая, Б. В. Локшин, В. В. Кривых
Изв. РАН. Сер. хим., Vol: 2014, No: 11 , published: 01 November 2014
Синтез некоторых ациклических четвертичных аммониевых соединений. Алкилирование вторичных и третичных аминов в двухфазной системе
А. В. Харламов, О. И. Артюшин, Н. А. Бондаренко
Изв. РАН. Сер. хим., Vol: 2014, No: 11 , published: 01 November 2014
Absorption spectra of alkali-C60 nanoclusters
Franck Rabilloud
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Characterization of gas phase WC2+: a thermodynamically stable carbide dication
S. Sabor, A. Touimi Benjelloun, M. Mogren Al Mogren and M. Hochlaf
Phys. Chem. Chem. Phys., Vol: 16, No: 39 , published: 21 October 2014
Assessment of asymptotically corrected model potentials for charge-transfer-like excitations in oligoacenes
Wei-Tao Peng and Jeng-Da Chai
Phys. Chem. Chem. Phys., Vol: 16, No: 39 , published: 21 October 2014
Excited electronic states of thiophene: high resolution photoabsorption Fourier transform spectroscopy and ab initio calculations
D. M. P. Holland, A. B. Trofimov, E. A. Seddon, E. V. Gromov, T. Korona, N. de Oliveira, L. E. Archer, D. Joyeux and L. Nahon
Phys. Chem. Chem. Phys., Vol: 16, No: 39 , published: 21 October 2014
Structural instabilities and wrinkles at the grain boundaries in 2-D h-BN: a first-principles analysis
Anjali Singh and Umesh V. Waghmare
Phys. Chem. Chem. Phys., Vol: 16, No: 39 , published: 21 October 2014
A face-sharing bi-icosahedral model for Al23
K. Koyasu and T. Tsukuda
Phys. Chem. Chem. Phys., Vol: 16, No: 39 , published: 21 October 2014
Resonant Raman spectra of molecules with diradical character: multiconfigurational wavefunction investigation of neutral viologens
Julia Romanova, Vincent Liégeois and Benoît Champagne
Phys. Chem. Chem. Phys., Vol: 16, No: 39 , published: 21 October 2014
Are Re(I) phenanthroline complexes suitable candidates for OLEDs? Answers from DFT and TD-DFT investigations
Gunasekaran Velmurugan, Balajangamanahalli K. Ramamoorthi and Ponnambalam Venuvanalingam
Phys. Chem. Chem. Phys., Vol: 16, No: 39 , published: 21 October 2014
The NMR spin–spin coupling constant 1J(31P,1H) in an isolated PH3 molecule
Piotr Garbacz, Włodzimierz Makulski and Michał Jaszuński
Phys. Chem. Chem. Phys., Vol: 16, No: 39 , published: 21 October 2014
Multi-scale modeling of electronic spectra of three aromatic amino acids: importance of conformational averaging and explicit solute–solvent interactions
Petr Štěpánek and Petr Bouř
Phys. Chem. Chem. Phys., Vol: 16, No: 38 , published: 14 October 2014
Intermolecular interactions and charge transfer transitions in aromatic hydrocarbon–tetracyanoethylene complexes
Adélia A. J. Aquino, Itamar Borges, Reed Nieman, Andreas Köhn and Hans Lischka
Phys. Chem. Chem. Phys., Vol: 16, No: 38 , published: 14 October 2014
The mechanism of N–Ag bonding determined tunability of surface-enhanced Raman scattering of pyridine on MAg (M = Cu, Ag, Au) diatomic clusters
Lei Chen, Yang Gao, Haoran Xu, Zhigang Wang, Zhengqiang Li and Rui-Qin Zhang
Phys. Chem. Chem. Phys., Vol: 16, No: 38 , published: 14 October 2014
The effect of branched versus linear alkyl side chains on the bulk heterojunction photovoltaic performance of small molecules containing both benzodithiophene and thienopyrroledione
Yu Jin Kim, Kwang Hun Park, Jong-jin Ha, Dae Sung Chung, Yun-Hi Kim and Chan Eon Park
Phys. Chem. Chem. Phys., Vol: 16, No: 37 , published: 07 October 2014
On the nature of non-covalent interactions in isomers of 2,5-dichloro-1,4-benzoquinone dimers – ground- and excited-state properties
B. Vijaya Pandiyan, P. Deepa and P. Kolandaivel
Phys. Chem. Chem. Phys., Vol: 16, No: 37 , published: 07 October 2014
A theoretical study of the L3 pre-edge XAS in Cu(II) complexes
G. Mangione, M. Sambi, M. V. Nardi and M. Casarin
Phys. Chem. Chem. Phys., Vol: 16, No: 37 , published: 07 October 2014
Blue Luminescence of Dendrimer-Encapsulated Gold Nanoclusters
Jun Myung Kim, So Hyeong Sohn, Noh Soo Han, Seung Min Park, Joohoon Kim, Jae Kyu Song
ChemPhysChem., Vol: 15, No: 14 , published: 06 October 2014
Theoretical Modeling of Low-Energy Electronic Absorption Bands in Reduced Cobaloximes
Anirban Bhattacharjee, Murielle Chavarot-Kerlidou, Jillian L. Dempsey, Harry B. Gray, Etsuko Fujita, James T. Muckerman, Marc Fontecave, Vincent Artero, Guilherme M. Arantes, Martin J. Field
ChemPhysChem., Vol: 15, No: 14 , published: 06 October 2014
Conformational Equilibria and Large-Amplitude Motions in Dimers of Carboxylic Acids: Rotational Spectrum of Acetic Acid–Difluoroacetic Acid
Qian Gou, Gang Feng, Luca Evangelisti, Walther Caminati
ChemPhysChem., Vol: 15, No: 14 , published: 06 October 2014
Photoisomerization and Single Bond Rotation in trans-1,2-Di(2-naphthyl)ethene-Cored Dendrimers
Satoshi Nakazato, Tatsuo Arai
Bull. Chem. Soc. Jpn., Vol: 87, No: 10 , published: 01 October 2014
Полиядерные комплексы краун-содержащих моностирилфенантролинов
Ю. В. Федоров, Н. Э. Шепель, О. Ю. Колосова, Е. Н. Гулакова, С. С. Киселев, И. А. Годовиков, А. С. Перегудов, О. А. Федорова
Изв. РАН. Сер. хим., Vol: 2014, No: 10 , published: 01 October 2014
Photofunctional Lanthanoid Complexes, Coordination Polymers, and Nanocrystals for Future Photonic Applications
Yasuchika Hasegawa
Bull. Chem. Soc. Jpn., Vol: 87, No: 10 , published: 01 October 2014
Spectroscopic and Molecular Dynamics Studies on Binding of Dimethylplatinum(II) Complex Drug to Human Serum Albumin
Reza Yousefi, Mohammad Mehdi Alavianmehr, Fatemeh Mokhtari, Fatemeh Keshavarz, Seyed Masoud Nabavizadeh, Mehdi Rashidi, Ali Akbar Moosavi-Movahedi
Bull. Chem. Soc. Jpn., Vol: 87, No: 10 , published: 01 October 2014
Syntheses of Geometrical Isomers for Comparison of Properties Caused by Steric and Electronic Effects in Carbonylruthenium(II) Complexes
Dai Oyama, Kazumi Yuzuriya, Ryutaro Naoi, Takashi Hamada, Tsugiko Takase
Bull. Chem. Soc. Jpn., Vol: 87, No: 10 , published: 01 October 2014
Синтез и свойства N-ферроценилалкилированных пирролов
К. Я. Жеребкер, А. Н. Родионов, М. М. Ильин, А. А. Корлюков, Д. Е. Архипов, Ю. А. Белоусов, А. А. Сименел
Изв. РАН. Сер. хим., Vol: 2014, No: 10 , published: 01 October 2014
Синтез N-ферроценилалкилированных производных пиразола
Е. Ю. Осипова, А. Н. Родионов, Д. Е. Архипов, М. М. Ильин, А. А. Сименел
Изв. РАН. Сер. хим., Vol: 2014, No: 10 , published: 01 October 2014
Синтез и комплексообразующие свойства фосфорилсодержащих иминов 7-гидрокси-8-формилкумарина
Д. В. Алексанян, О. И. Артюшин, Г. К. Генкина, А. А. Васильев, Ю. В. Нелюбина, Н. Э. Шепель, З. С. Клеменкова, Л. В. Гумилева, В. А. Козлов
Изв. РАН. Сер. хим., Vol: 2014, No: 10 , published: 01 October 2014
Ultrafast ZE photoisomerisation of structurally modified furylfulgides
Falk Renth, Ron Siewertsen, Frank Strübe, Jochen Mattay and Friedrich Temps
Phys. Chem. Chem. Phys., Vol: 16, No: 36 , published: 28 September 2014
Feshbach resonances, molecular bound states, and prospects of ultracold-molecule formation in mixtures of ultracold K and Cs
Hannah J. Patel, Caroline L. Blackley, Simon L. Cornish, and Jeremy M. Hutson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 25 September 2014
Towards understanding the color change of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide during gamma irradiation: an experimental and theoretical study
Shuojue Wang, Junzi Liu, Liyong Yuan, Zhenpeng Cui, Jing Peng, Jiuqiang Li, Maolin Zhai and Wenjian Liu
Phys. Chem. Chem. Phys., Vol: 16, No: 35 , published: 21 September 2014
Ab Initio MP2 and Density Functional Theory Computational Study of AcAlaNH2 Peptide Hydration: A Bottom-Up Approach
Giuseppe Lanza, Maria A. Chiacchio
ChemPhysChem., Vol: 15, No: 13 , published: 15 September 2014
On the structure of the thiolated Au6Ag7 cluster
Alfredo Tlahuice-Flores
Phys. Chem. Chem. Phys., Vol: 16, No: 34 , published: 14 September 2014
Vertically π-expanded coumarin – synthesis via the Scholl reaction and photophysical properties
Mariusz Tasior, Irena Deperasińska, Karolina Morawska, Marzena Banasiewicz, Olena Vakuliuk, Bolesław Kozankiewicz and Daniel T. Gryko
Phys. Chem. Chem. Phys., Vol: 16, No: 34 , published: 14 September 2014
Probing the aggregation behavior of 4-aminophthalimide and 4-(N,N-dimethyl) amino-N-methylphthalimide: a combined photophysical, crystallographic, microscopic and theoretical (DFT) study
Debashis Majhi, Sudhir Kumar Das, Prabhat Kumar Sahu, Saied Md Pratik, Arun Kumar and Moloy Sarkar
Phys. Chem. Chem. Phys., Vol: 16, No: 34 , published: 14 September 2014
Ab initio X10+ ground state potential curves of PbRG dimers (RG = He, Ne, Ar) including spin–orbit effects. Simulation of diffusion coefficients
Vladimir Sladek, Lukáš Bučinský, Ján Matuška, Michal Ilčin, Vladimír Lukeš and Viliam Laurinc
Phys. Chem. Chem. Phys., Vol: 16, No: 34 , published: 14 September 2014
Pursuit of quantum monodromy in the far-infrared and mid-infrared spectra of NCNCS using synchrotron radiation
Manfred Winnewisser, Brenda P. Winnewisser, Frank C. De Lucia, Dennis W. Tokaryk, Stephen C. Ross and Brant E. Billinghurst
Phys. Chem. Chem. Phys., Vol: 16, No: 33 , published: 07 September 2014
On the existence and characteristics of π-beryllium bonds
Estefanía Fernández Villanueva, Otilia Mó and Manuel Yáñez
Phys. Chem. Chem. Phys., Vol: 16, No: 33 , published: 07 September 2014
Термодинамические характеристики процессов комплексообразования Gd3+ с этилендиамин-N,N'-диянтарной кислотой в водных растворах при 298.15
Лыткин А.И., Чернявская Н.В., Чернов А.С., Литвиненко В.Э.
Изв. вузов. Химия и хим. технол., Vol: 57, No: 9 , published: 01 September 2014
Ассоциация сульфопроизводных фталоцианина Co(II) и Cu(II) в присутствии креатинина
Воронина А.А., Вашурин А.С., Литова Н.А., Шепелев М.В., Пуховская С.Г.
Изв. вузов. Химия и хим. технол., Vol: 57, No: 9 , published: 01 September 2014
Координационные взаимодействия системы глюкозамина гидрохлорид - глюкозамин с ионами d-металлов
Смирнов В.Ф., Комова Е.П., Скоробогатова Е.В., Арбатский А.П.
Изв. вузов. Химия и хим. технол., Vol: 57, No: 9 , published: 01 September 2014
Синтез 6-арил-6,6а,7,9а-тетрагидро-5Н-циклопента[с]-1,7- и -1,8-фенантролинов
А. Г. Толстиков, Р. Г. Савченко, Е. С. Лукина, Р. М. Лиманцева, В. Н. Одиноков
Изв. РАН. Сер. хим., Vol: 2014, No: 9 , published: 01 September 2014
Aziridine Formation with Retention of Configuration from a Pentacoordinated 1,2-Thiazetidine Bearing Two Chiral Centers at the 3- and 4-Positions
Yuya Daicho, Yuki Watanabe, Naokazu Kano, Mariko Yukimoto, Mao Minoura, Takayuki Kawashima
Bull. Chem. Soc. Jpn., Vol: 87, No: 9 , published: 01 September 2014
Structure of saligenin: microwave, UV and IR spectroscopy studies in a supersonic jet combined with quantum chemistry calculations
Sumit Kumar, Santosh K. Singh, Camilla Calabrese, Assimo Maris, Sonia Melandri and Aloke Das
Phys. Chem. Chem. Phys., Vol: 16, No: 32 , published: 28 August 2014
Mimicking anesthetic–receptor interactions in jets: the propofol–isopropanol cluster
Iker León, Imanol Usabiaga, Judith Millán, Emilio J. Cocinero, Alberto Lesarri and José A. Fernández
Phys. Chem. Chem. Phys., Vol: 16, No: 32 , published: 28 August 2014
Significant evidence of CO and CC long-range contacts in several heterodimeric complexes of CO with CH3–X, should one refer to them as carbon and dicarbon bonds!
Pradeep R. Varadwaj, Arpita Varadwaj and Bih-Yaw Jin
Phys. Chem. Chem. Phys., Vol: 16, No: 32 , published: 28 August 2014
The effect of substituted 1,2,4-triazole moiety on the emission, phosphorescent properties of the blue emitting heteroleptic iridium(III) complexes and the OLED performance: a theoretical study
Ruby Srivastava and Laxmikanth Rao Joshi
Phys. Chem. Chem. Phys., Vol: 16, No: 32 , published: 28 August 2014
Ab Initio Study on the Stability of NgnBe2N2, NgnBe3N2 and NgBeSiN2 Clusters
Sudip Pan, Diego Moreno, José Luis Cabellos, Gabriel Merino, Pratim K. Chattaraj
ChemPhysChem., Vol: 15, No: 12 , published: 25 August 2014
Covalently linked perylenetetracarboxylic diimide dimers and trimers with rigid “J-type” aggregation structure
Heyuan Liu, Li Shen, Zhaozhen Cao and Xiyou Li
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 August 2014
Excited-state properties of fluorenones: influence of substituents, solvent and macrocyclic encapsulation
Indrajit Ghosh, Arindam Mukhopadhyay, Apurba Lal Koner, Subhas Samanta, Werner M. Nau and Jarugu Narasimha Moorthy
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 August 2014
Determining the molecular basis for the pH-dependent interaction between 2′-deoxynucleotides and 9H-pyrido[3,4-b]indole in its ground and electronic excited states
M. Micaela Gonzalez, M. Paula Denofrio, Fernando S. García Einschlag, Carlos A. Franca, Reinaldo Pis Diez, Rosa Erra-Balsells and Franco M. Cabrerizo
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 August 2014
Ultrafast excited state dynamics of S2 and S1 states of triphenylmethane dyes
Pallavi Singhal and Hirendra N. Ghosh
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 August 2014
Quantum chemical and matrix-IR characterization of CH3CN–BCl3: a complex with two distinct minima along the B–N bond potential
John P. Wrass, Daniel Sadowsky, Kaitlin M. Bloomgren, Christopher J. Cramer and James A. Phillips
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 August 2014
A computational study on the complexation of Np(V) with N,N,N′,N′-tetramethyl-3-oxa-glutaramide (TMOGA) and its carboxylate analogs
Jinghui Zeng, Xia Yang, Jiali Liao, Ning Liu, Yuanyou Yang, Zhifang Chai and Dongqi Wang
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 August 2014
Dynamics of photodissociation of XeF2 in organic solvents
Greg T. Dunning, Thomas J. Preston, Andrew J. Orr-Ewing, Stuart J. Greaves, Gregory M. Greetham, Ian P. Clark and Michael Towrie
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
The role of the low-lying dark nπ* states in the photophysics of pyrazine: a quantum dynamics study
Matthieu Sala, Benjamin Lasorne, Fabien Gatti and Stéphane Guérin
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
Experimental and theoretical study of enol–keto prototropic tautomerism and photophysics of azomethine–BODIPY dyads
Zhong-Hua Pan, Jing-Wei Zhou and Geng-Geng Luo
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
Alkali metal cation binding affinities of cytosine in the gas phase: revisited
Bo Yang and M. T. Rodgers
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
Молекулярные роторы на основе стириловых красителей. Вязкостная зависимость внутреннего вращения фрагментов в молекулах
В. В. Волчков, М. Н. Химич, Л. Д. Ужинова, Б. М. Ужинов , М. Я. Мельников, С. П. Громов,а,б А. И. Ведерников, С. К. Сазонов, М. В. Алфимов
Изв. РАН. Сер. хим., Vol: 2014, No: 8 , published: 12 August 2014
Синтез и фотохромные свойства фульгидов и фульгимидов — производных 5-алкоксибензо[b]фурана
В. П. Рыбалкин, Н. И. Макарова, С. Ю. Плужникова, Л. Л. Попова, А. В. Метелица, В. А. Брень, В. И. Минкин
Изв. РАН. Сер. хим., Vol: 2014, No: 8 , published: 12 August 2014
Синтез, строение и спектральные исследования комплексов цинка и кадмия с азометиновыми производными 2-тозиламинобензальдегида и аминохинолинов
А. С. Бурлов, В. В. Чесноков, В. Г. Власенко, Д. А. Гарновский, Е. И. Мальцев, А. В. Дмитриев, Д. А. Лыпенко, Г. С. Бородкин, Ю. В. Ревинский
Изв. РАН. Сер. хим., Vol: 2014, No: 8 , published: 12 August 2014
Синтез, строение, фото- и электролюминесцентные исследования бис[2-(N-тозиламино)бензилиден-4´-диметиламинофениламинато]цинка
А. С. Бурлов, Е. И. Мальцев, В. Г. Власенко, А. В. Дмитриев, Д. А. Лыпенко, Д. А. Гарновский, А. И. Ураев, Г. С. Бородкин, А. В. Метелица
Изв. РАН. Сер. хим., Vol: 2014, No: 8 , published: 12 August 2014
A QM/MM MD insight into photodynamics of hypoxanthine: distinct nonadiabatic decay behaviors between keto-N7H and keto-N9H tautomers in aqueous solution
Xugeng Guo, Yuan Zhao and Zexing Cao
Phys. Chem. Chem. Phys., Vol: 16, No: 29 , published: 07 August 2014
Theoretical study on molecular design and optical properties of organic sensitizers
Santhanamoorthi Nachimuthu, Kuan-Hwa Lai, Fadlilatul Taufany and Jyh-Chiang Jiang
Phys. Chem. Chem. Phys., Vol: 16, No: 29 , published: 07 August 2014
The solvatochromic, spectral, and geometrical properties of nifenazone: a DFT/TD-DFT and experimental study
Abdulilah Dawoud Bani-Yaseen and Mona Al-Balawi
Phys. Chem. Chem. Phys., Vol: 16, No: 29 , published: 07 August 2014
1 J CH couplings in Group 14/IVA tetramethyls from the gas-phase NMR and DFT structural study: a search for the best computational protocol
Ryszard B. Nazarski and Włodzimierz Makulski
Phys. Chem. Chem. Phys., Vol: 16, No: 29 , published: 07 August 2014
Conical Intersections and Low-Lying Electronic States of Tetrafluoroethylene
J. Wayne Mullinax, Alexander Yu Sokolov, Henry F. Schaefer III
ChemPhysChem., Vol: 15, No: 11 , published: 04 August 2014
Synthesis and Characterization of Ir and Rh Complexes Supported on Layered K4Nb6O17 as a Heterogeneous Photocatalyst for Visible-Light-Induced Hydrogen Evolution
Masayoshi Kawashima, Kohsuke Mori, Junya Aoyama, Hiromi Yamashita
Bull. Chem. Soc. Jpn., Vol: 87, No: 8 , published: 01 August 2014
Photophysical Properties of a Copper(I) Complex Bearing 4,4′-Dimethoxy-2,2′-bipyridine and 1,3-Bis(diphenylphosphino)propane
Michihiro Nishikawa, Taro Tsubomura
Bull. Chem. Soc. Jpn., Vol: 87, No: 8 , published: 01 August 2014
Dye chemistry with time-dependent density functional theory
Adèle D. Laurent, Carlo Adamo and Denis Jacquemin
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Excited states using the simplified Tamm–Dancoff-Approach for range-separated hybrid density functionals: development and application
Tobias Risthaus, Andreas Hansen and Stefan Grimme
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Optical spectrum, perceived color, refractive index, and non-adiabatic dynamics of the photochromic diarylethene CMTE
Christian Wiebeler, Christina A. Bader, Cedrik Meier and Stefan Schumacher
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
The nature of vertical excited states of dyes containing metals for DSSC applications: insights from TD-DFT and density based indexes
Tangui Le Bahers, Eric Brémond, Ilaria Ciofini and Carlo Adamo
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Modelling excited states of weakly bound complexes with density functional theory
Edward A. Briggs and Nicholas A. Besley
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Revisiting the role of exact exchange in DFT spin-state energetics of transition metal complexes
Mariusz Radoń
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
A density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals
M. Gruden-Pavlović, S. Stepanović, M. Perić, M. Güell and M. Swart
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Predicting phosphorescent lifetimes and zero-field splitting of organometallic complexes with time-dependent density functional theory including spin–orbit coupling
K. Mori, T. P. M. Goumans, E. van Lenthe and F. Wang
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
A 5-(difluorenyl)-1,10-phenanthroline-based Ru(II) complex as a coating agent for potential multifunctional gold nanoparticles
Juliette Moreau, François Lux, Mickaël Four, Joanna Olesiak-Banska, Katarzyna Matczyszyn, Pascal Perriat, Céline Frochot, Philippe Arnoux, Olivier Tillement, Marek Samoc, Glauco Ponterini, Stéphane Roux and Gilles Lemercier
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
A comparative study of Ru(II) cyclometallated complexes versus thiocyanated heteroleptic complexes: thermodynamic force for efficient dye regeneration in dye-sensitized solar cells and how low could it be?
Maqbool Hussain, Ashraful Islam, Idriss Bedja, Ravindra Kumar Gupta, Liyuan Han and Ahmed El-Shafei
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Exchange–correlation functionals from the strong interaction limit of DFT: applications to model chemical systems
Francesc Malet, André Mirtschink, Klaas J. H. Giesbertz, Lucas O. Wagner and Paola Gori-Giorgi
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Photo-physical properties of 2-(1-ethynylpyrene)-adenosine: influence of hydrogen bonding on excited state properties
P. Trojanowski, J. Plötner, C. Grünewald, F. F. Graupner, C. Slavov, A. J. Reuss, M. Braun, J. W. Engels and J. Wachtveitl
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
A DFT and ONIOM study of C–H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase
Inacrist Geronimo and Piotr Paneth
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Structure–properties relationship of carbazole and fluorene hybrid trimers: experimental and theoretical approaches
Ausra Tomkeviciene, Juozas V. Grazulevicius, Dmytro Volyniuk, Vygintas Jankauskas and Gjergji Sini
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Photoinduced symmetry-breaking intramolecular charge transfer in a quadrupolar pyridinium derivative
Benedetta Carlotti, Enrico Benassi, Anna Spalletti, Cosimo G. Fortuna, Fausto Elisei and Vincenzo Barone
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Substituted diphenyl butadiynes: a computational study of geometries and electronic transitions using DFT/TD-DFT
Avik Kumar Pati, Santosh J. Gharpure and Ashok K. Mishra
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Structure of the Pb2+–deprotonated dGMP complex in the gas phase: a combined MS-MS/IRMPD spectroscopy/ion mobility study
Jean-Yves Salpin, Luke MacAleese, Fabien Chirot and Philippe Dugourd
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Ab initio theoretical investigation of beryllium and beryllium hydride nanoparticles and nanocrystals with implications for the corresponding infinite systems
Aristides D. Zdetsis, Michael M. Sigalas and Emmanuel N. Koukaras
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Quantum yield in blue-emitting anthracene derivatives: vibronic coupling density and transition dipole moment density
Motoyuki Uejima, Tohru Sato, Daisuke Yokoyama, Kazuyoshi Tanaka and Jong-Wook Park
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Hyperfine structure of S states in muonic deuterium
R. N. Faustov, A. P. Martynenko, G. A. Martynenko, and V. V. Sorokin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 21 July 2014
Angle-resolved study of resonant Auger decay and fluorescence emission processes after core excitations of the terminal and central nitrogen atoms in N2O
A. Knie, M. Ilchen, Ph. Schmidt, Ph. Reiß, C. Ozga, B. Kambs, A. Hans, N. Müglich, S. A. Galitskiy, L. Glaser, P. Walter, J. Viefhaus, A. Ehresmann, and Ph. V. Demekhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 16 July 2014
Time-resolved fluorescence spectroscopy study of excited state dynamics of alkyl- and benzo-substituted triphyrin(2.1.1)
Yusuke Iima, Daiki Kuzuhara, Zhao-Li Xue, Seiji Akimoto, Hiroko Yamada and Keisuke Tominaga
Phys. Chem. Chem. Phys., Vol: 16, No: 26 , published: 14 July 2014
Interactions between alkanes and aromatic molecules: a rotational study of pyridine–methane
Qian Gou, Lorenzo Spada, Montserrat Vallejo-López, Alberto Lesarri, Emilio J. Cocinero and Walther Caminati
Phys. Chem. Chem. Phys., Vol: 16, No: 26 , published: 14 July 2014
Isolation of the CH3˙ rotor in a thermally stable inert matrix: first characterization of the gradual transition from classical to quantum behaviour at low temperatures
G. Buscarino, A. Alessi, S. Agnello, B. Boizot, F. M. Gelardi and R. Boscaino
Phys. Chem. Chem. Phys., Vol: 16, No: 26 , published: 14 July 2014
Октаэдрические кластеры рения в мезопористом MIL-101: люминесцентные и сорбционные свойства
А. М. Чеплакова, К. А. Коваленко, М. А. Шестопалов, К. А. Брылев, В. П. Федин
Изв. РАН. Сер. хим., Vol: 2014, No: 7 , published: 12 July 2014
Особенности гетероциклизации (Е)-3-(2-этоксифенил)-1-фенилпроп-2-ен-1-она с аминоазолами
И. Г. Овчинникова, М. С. Валова, Е. Г. Маточкина, М. И. Кодесс, А. А. Тумашов, П. А. Слепухин, О. В. Федорова, Г. Л. Русинов, В. Н. Чарушин
Изв. РАН. Сер. хим., Vol: 2014, No: 7 , published: 12 July 2014
Аддукты ацетилацетонатов лантанидов с 2-(2-пиридил)-5-фенил-7,8-бензо-6,5-дигидро-1,3,6-триазаиндолизином: строение и фотолюминесценция
А. Н. Гусев, В. Ф. Шульгин, В. Линерт, М. Хасегава, Г. Г. Александров, И. Л. Еременко
Изв. РАН. Сер. хим., Vol: 2014, No: 7 , published: 12 July 2014
Синтез и EZ-изомерия 4-(4-диметиламинофенилиминов) 3-диалкиламино-2,5,6,7,8-пентафтор-1,4-нафтохинонов
Л. В. Эктова, И. П. Чуйков, А. Д. Бухтоярова, И. В. Береговая
Изв. РАН. Сер. хим., Vol: 2014, No: 7 , published: 12 July 2014
Ground- and excited-state properties of the polar and paramagnetic RbSr molecule: A comparative study
Piotr S. Żuchowski, R. Guérout, and O. Dulieu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 09 July 2014
Effect of pH on the chemical modification of quercetin and structurally related flavonoids characterized by optical (UV-visible and Raman) spectroscopy
Z. Jurasekova, C. Domingo, J. V. Garcia-Ramos and S. Sanchez-Cortes
Phys. Chem. Chem. Phys., Vol: 16, No: 25 , published: 07 July 2014
Halogen bonding of electrophilic bromocarbons with pseudohalide anions
Sergiy V. Rosokha, Charlotte L. Stern, Alan Swartz and Rory Stewart
Phys. Chem. Chem. Phys., Vol: 16, No: 25 , published: 07 July 2014
Динамика возбуждения автоионизационных состояний атома рубидия и молекулы Rb2 при электрон-атомных столкновениях
В. И. Роман, А. В. Куплиаускиене, А. А. Боровик, О. И. Зацаринный
Доп. Нац. АН Украïни, Vol: 2014, No: 7 , published: 01 July 2014
Excimer Emission in Inclusion Complexes of Dibenzofuran and 5-Dibenzosuberenone with α- and β-Cyclodextrins
Narayanasamy Rajendiran, Ramasamy Kandasamy Sankaranarayanan, Govindaraj Venkatesh
Bull. Chem. Soc. Jpn., Vol: 87, No: 7 , published: 01 July 2014
Аминометилированные производные 2,7-дигидроксинафталина
Нифантьев Э.Е., Слитиков П.В., Расадкина Е.Н.
Докл. РАН, Vol: 457, No: 2 , published: 01 July 2014
Optical and electrochemical properties of ethynylaniline derivatives of phenothiazine, phenothiazine-5-oxide and phenothiazine-5,5-dioxide
Kim D. Thériault and Todd C. Sutherland
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
Competition between weak hydrogen bonds: C–HCl is preferred to C–HF in CH2ClF–H2CO, as revealed by rotational spectroscopy
Gang Feng, Qian Gou, Luca Evangelisti, Montserrat Vallejo-López, Alberto Lesarri, Emilio J. Cocinero and Walther Caminati
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
Identifying sp–sp2 carbon materials by Raman and infrared spectroscopies
Jinying Wang, Shuqing Zhang, Jingyuan Zhou, Rong Liu, Ran Du, Hua Xu, Zhongfan Liu, Jin Zhang and Zhirong Liu
Phys. Chem. Chem. Phys., Vol: 16, No: 23 , published: 21 June 2014
A study on the photophysics of 9-amino-10-cyanoanthracene: probing its dual absorption and emission behavior
Sharmistha Dutta Choudhury, Sukumaran Muralidharan and Haridas Pal
Phys. Chem. Chem. Phys., Vol: 16, No: 23 , published: 21 June 2014
Silver nanoparticles linked by a Pt-containing organometallic dithiol bridge: study of local structure and interface by XAFS and SR-XPS
C. Battocchio, I. Fratoddi, L. Fontana, E. Bodo, F. Porcaro, C. Meneghini, I. Pis, S. Nappini, S. Mobilio, M. V. Russo and G. Polzonetti
Phys. Chem. Chem. Phys., Vol: 16, No: 23 , published: 21 June 2014
The theoretical account of the ligand field bonding regime and magnetic anisotropy in the DySc2N@C80 single ion magnet endohedral fullerene
Fanica Cimpoesu, Nita Dragoe, Harry Ramanantoanina, Werner Urland and Claude Daul
Phys. Chem. Chem. Phys., Vol: 16, No: 23 , published: 21 June 2014
A combined computational and experimental study of the [Co(bpy)3]2+/3+ complexes as one-electron outer-sphere redox couples in dye-sensitized solar cell electrolyte media
Narges Yaghoobi Nia, Pooria Farahani, Hassan Sabzyan, Mahmoud Zendehdel and Mohsen Oftadeh
Phys. Chem. Chem. Phys., Vol: 16, No: 23 , published: 21 June 2014
The UV absorption spectrum of the simplest Criegee intermediate CH2OO
Wei-Lun Ting, Ying-Hsuan Chen, Wen Chao, Mica C. Smith and Jim Jr-Min Lin
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 June 2014
Complexation of DNA with ruthenium organometallic compounds: the high complexation ratio limit
Stéphane Despax, Fuchao Jia, Michel Pfeffer and Pascal Hébraud
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 June 2014
Excited states of protonated DNA/RNA bases
Matias Berdakin, Géraldine Féraud, Claude Dedonder-Lardeux, Christophe Jouvet and Gustavo A. Pino
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 June 2014
A conformation-selective IR-UV study of the dipeptides Ac-Phe-Ser-NH2 and Ac-Phe-Cys-NH2: probing the SHO and OHO hydrogen bond interactions
Bin Yan, Sander Jaeqx, Wim J. van der Zande and Anouk M. Rijs
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 June 2014
Flexible bonding between copper and nitric oxide: infrared photodissociation spectroscopy of copper nitrosyl cation complexes: [Cu(NO)n]+ (n = 1–5)
Lichen Wang, Guanjun Wang, Hui Qu, Zhen Hua Li and Mingfei Zhou
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 June 2014
Systematic experimental charge density analysis of anion receptor complexes
Isabelle L. Kirby, Mark Brightwell, Mateusz B. Pitak, Claire Wilson, Simon J. Coles and Philip A. Gale
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 June 2014
Characterisation of the electronic structure of some stable nitroxyl radicals using variable energy photoelectron spectroscopy
Branka Kovač, Ivan Ljubić, Antti Kivimäki, Marcello Coreno and Igor Novak
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 June 2014
Absolute electron total ionization cross-sections: molecular analogues of DNA and RNA nucleobase and sugar constituents
James N. Bull, Jason W. L. Lee and Claire Vallance
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 June 2014
Porphyrin-based sensor nanoarchitectonics in diverse physical detection modes
Shinsuke Ishihara, Jan Labuta, Wim Van Rossom, Daisuke Ishikawa, Kosuke Minami, Jonathan P. Hill, Katsuhiko Ariga
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Coupled-cluster calculations of the lowest 0–0 bands of the electronic excitation spectrum of naphthalene
Heike Fliegl,  Dage Sundholm
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
A hybrid bis(amino-styryl) substituted Bodipy dye and its conjugate diacid: synthesis, structure, spectroscopy and quantum chemical calculations
Adela Nano, Pascal Retailleau, Jerry P. Hagon, Anthony Harriman, Raymond Ziessel
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Cyclotriphosphazene appended porphyrins and fulleropyrrolidine complexes as supramolecular multiple photosynthetic reaction centers: steady and excited states photophysical investigation
Vishnu Sukumaran Nair, Yogita Pareek, Venugopal Karunakaran, Mangalampalli Ravikanth, Ayyappanpillai Ajayaghosh
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
ZnGa2O4 Nanorod Arrays Decorated with Ag Nanoparticles as Surface-Enhanced Raman-Scattering Substrates for Melamine Detection
Limiao Chen, Dan Jiang, Xiaohe Liu, Guanzhou Qiu
ChemPhysChem., Vol: 15, No: 8 , published: 01 June 2014
Спиропираны и спирооксазины Сообщение 10.* Синтез фотохромных 5´-(1,3-бензоксазол-2-ил)замещенных cпиро[индолин-нафтопиранов]
Н. А. Волошин, А. В. Чернышев, Е. В. Соловьева, И. А. Ростовцева, А. В. Метелица, Г. С. Бородкин, В. А. Коган, В. И. Минкин
Изв. РАН. Сер. хим., Vol: 2014, No: 6 , published: 01 June 2014
Aromatic Selenoic, Selenothioic, and Diselenoic Acid Salts: Isolation, Characterization, and 77Se NMR Spectra, Together with Theoretical Elucidation
Toshiaki Murai, Daisuke Nishi, Satoko Hayashi, Waro Nakanishi
Bull. Chem. Soc. Jpn., Vol: 87, No: 6 , published: 01 June 2014
Синтез, структура и фотофизические свойства металлокомплексов ZnII и CdII на основе бензоилгидразонов
Э. В. Носова, А. А. Чупахин, Г. Н. Липунова, П. А. Слепухин, М. С. Валова, В. Н. Чарушин
Изв. РАН. Сер. хим., Vol: 2014, No: 6 , published: 01 June 2014
Синтез 4-оксотиазолидин-2,5-диилиденов, содержащих тиоамидную группу, на основе дитиомалонамидов
К. Л. Обыденнов, Н. А. Головко, М. Ф. Костерина, Т. А. Поспелова, П. А. Слепухин, Ю. Ю. Моржерин
Изв. РАН. Сер. хим., Vol: 2014, No: 6 , published: 01 June 2014
Синтез 6H,7H-пиридо[2,1-a]изохинолиниевых цвиттер-ионов из 6-нитро-2-полифторалкилхромонов и 1,3,3-триметил-3,4-дигидроизохинолинов
В. Я. Сосновских, Б. И. Усачев, Т. С. Вшивкова, Ю. В. Шкляев
Изв. РАН. Сер. хим., Vol: 2014, No: 6 , published: 01 June 2014
Синтез и внутримолекулярные превращения замещенных 2-метил-11-нитро-5,6-дигидро-2Н-2,6-метанобензо[g][1,3,5] оксадиазоцин-4(3Н)-онов в зависимости от среды
В. Ф. Седова, В. П. Кривопалов, Ю. В. Гатилов, О. П. Шкурко
Изв. РАН. Сер. хим., Vol: 2014, No: 6 , published: 01 June 2014
Диастереоселективный синтез α-аминоалкилфосфоновых производных основания Бетти
К. Е. Метлушка, Д. Н. Садкова, Л. Н. Шаймарданова, К. А. Никитина, А. И. Туфатуллин, О. Н. Катаева, В. А. Альфонсов
Изв. РАН. Сер. хим., Vol: 2014, No: 6 , published: 01 June 2014
Синтез и строение 6-арил-6,7-дигидро-2-имидазо[5,1-c][1,2,4]триазол-3,5-дионов
А. Н. Комогорцев, Б. В. Личицкий, К. С. Крылов, И. В. Федянин, А. А. Дудинов, М. М. Краюшкин
Изв. РАН. Сер. хим., Vol: 2014, No: 6 , published: 01 June 2014
An ab initio study of the CrHe diatomic molecule: the effect of van der Waals distortion on a highly magnetic multi-electron system
Johann V. Pototschnig, Martin Ratschek, Andreas W. Hauser and Wolfgang E. Ernst
Phys. Chem. Chem. Phys., Vol: 16, No: 20 , published: 28 May 2014
Electronic structure investigation of the evanescent AtO+ ion
André Severo Pereira Gomes, Florent Réal, Nicolas Galland, Celestino Angeli, Renzo Cimiraglia and Valérie Vallet
Phys. Chem. Chem. Phys., Vol: 16, No: 20 , published: 28 May 2014
Theoretical investigation and design of high-efficiency dithiafulvenyl-based sensitizers for dye-sensitized solar cells: the impacts of elongating π-spacers and rigidifying dithiophene
Wei Li, Jian Wang, Jie Chen, Fu-Quan Bai and Hong-Xing Zhang
Phys. Chem. Chem. Phys., Vol: 16, No: 20 , published: 28 May 2014
Efficiency enhancement of black dye-sensitized solar cells by newly synthesized D–π–A coadsorbents: a theoretical study
Yavar T. Azar and Mahmoud Payami
Phys. Chem. Chem. Phys., Vol: 16, No: 20 , published: 28 May 2014
Exploring the electronic states of iodocarbyne: a theoretical contribution
Tiago Vinicius Alves and Fernando R. Ornellas
Phys. Chem. Chem. Phys., Vol: 16, No: 20 , published: 28 May 2014
Absorption and fluorescence signatures of 1,2,3-triazole based regioisomers: challenging compounds for TD-DFT
Claudine Katan, Paul Savel, Bryan M. Wong, Thierry Roisnel, Vincent Dorcet, Jean-Luc Fillaut, Denis Jacquemin
Phys. Chem. Chem. Phys., Vol: 16, No: 19 , published: 21 May 2014
An ab initio MO study of heavy atom effects on the zero-field splitting tensors of high-spin nitrenes: how the spin–orbit contributions are affected
Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Masahiro Kitagawa, Takeji Takui
Phys. Chem. Chem. Phys., Vol: 16, No: 19 , published: 21 May 2014
Polarization control of metal-enhanced fluorescence in hybrid assemblies of photosynthetic complexes and gold nanorods
Ł. Bujak, M. Olejnik, T. H. P. Brotosudarmo, M. K. Schmidt, N. Czechowski, D. Piatkowski, J. Aizpurua, R. J. Cogdell, W. Heiss,  S. Mackowski
Phys. Chem. Chem. Phys., Vol: 16, No: 19 , published: 21 May 2014
Structural dynamics effects on the ultrafast chemical bond cleavage of a photodissociation reaction
María E. Corrales, Vincent Loriot, Garikoitz Balerdi, Jesús González-Vázquez, Rebeca de Nalda, Luis Bañares, Ahmed H. Zewail
Phys. Chem. Chem. Phys., Vol: 16, No: 19 , published: 21 May 2014
On the possible biological relevance of HSNO isomers: a computational investigation
Lena V. Ivanova, Becka J. Anton, Qadir K. Timerghazin
Phys. Chem. Chem. Phys., Vol: 16, No: 18 , published: 14 May 2014
Interaction of a potential chloride channel blocker with a model transport protein: a spectroscopic and molecular docking investigation
Aniruddha Ganguly, Bijan Kumar Paul, Soumen Ghosh, Sasanka Dalapati,  Nikhil Guchhait
Phys. Chem. Chem. Phys., Vol: 16, No: 18 , published: 14 May 2014
In-depth exploration of the photophysics of a trinuclear palladium complex
Y. Schmitt, K. Chevalier, F. Rupp, M. Becherer, A. Grün, A. M. Rijs, F. Walz, F. Breher, R. Diller, M. Gerhards, W. Klopper
Phys. Chem. Chem. Phys., Vol: 16, No: 18 , published: 14 May 2014
Doping strategies to control A-centres in silicon: insights from hybrid density functional theory
H. Wang, A. Chroneos, C. A. Londos, E. N. Sgourou, U. Schwingenschlögl
Phys. Chem. Chem. Phys., Vol: 16, No: 18 , published: 14 May 2014
Computational investigation of charge injection and transport properties of a series of thiophene–pyrrole based oligo-azomethines
Harikrishna Sahu, Aditya N. Panda
Phys. Chem. Chem. Phys., Vol: 16, No: 18 , published: 14 May 2014
Can the dipolarity of the medium induce the formation of charge transfer structures? An unexpected finding in the photophysics of DMABN
Javier Catalán
Phys. Chem. Chem. Phys., Vol: 16, No: 17 , published: 07 May 2014
Accurate calculations of geometries and singlet–triplet energy differences for active-site models of [NiFe] hydrogenase
Mickaël G. Delcey, Kristine Pierloot, Quan M. Phung, Steven Vancoillie, Roland Lindh and Ulf Ryde
Phys. Chem. Chem. Phys., Vol: 16, No: 17 , published: 07 May 2014
On the origin of the very strong two-photon activity of squaraine dyes – a standard/damped response theory study
Md. Mehboob Alam, Mausumi Chattopadhyaya, Swapan Chakrabarti and Antonio Rizzo
Phys. Chem. Chem. Phys., Vol: 16, No: 17 , published: 07 May 2014
A computational study of ‘Al-kanes’ and ‘Al-kenes’
Benjamin J. Irving and Fedor Y. Naumkin
Phys. Chem. Chem. Phys., Vol: 16, No: 17 , published: 07 May 2014
Microsolvation of the acetanilide cation (AA+) in a nonpolar solvent: IR spectra of AA+–Ln clusters (L = He, Ar, N2; n ≤ 10)
Matthias Schmies, Alexander Patzer, Markus Schütz, Mitsuhiko Miyazaki, Masaaki Fujii and Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 16, No: 17 , published: 07 May 2014
Синтез 2-(4-метил-1,3-тиазол-5-ил)этиловых эфиров акридонкарбоновых кислот и оценка их антибактериальной активности
Ю. Д. Маркович, Т. Н. Кудрявцева, К. В. Богатырев, П. И. Сысоев, Л. Г. Климова, Г. В. Назаров
Изв. РАН. Сер. хим., Vol: 2014, No: 5 , published: 01 May 2014
Антирадикальная и фотопротекторная активность оксибиола — нового водорастворимого антиоксиданта гетероароматического ряда
А. Е. Донцов, А. Д. Коромыслова, Ю. В. Кузнецов, Н. Л. Сакина, М. А. Островский
Изв. РАН. Сер. хим., Vol: 2014, No: 5 , published: 01 May 2014
Фосфорамидаты ацикловира — потенциальные анти-ВИЧ-препараты
Н. Ф. Закирова, И. Л. Карпенко, М. М. Прокофьева, К. Ванпуль, В. С. Прасолов, А. В. Шипицын, С. Н. Кочетков
Изв. РАН. Сер. хим., Vol: 2014, No: 5 , published: 01 May 2014
Новые 5-модифицированные производные 2´-дезоксиуридина: синтез и противотуберкулезная активность
Э. Р. Шмаленюк, И. Л. Карпенко, Л. Н. Черноусова, А. О. Чижов, Т. Г. Смирнова, С. Н. Андреевская, Л. А. Александрова
Изв. РАН. Сер. хим., Vol: 2014, No: 5 , published: 01 May 2014
Модификация биологически активных амидов и аминов фторсодержащими гетероциклами Сообщение 11.* Тетрагидрокарбазолы, модифицированные 2-(5-фторпиридин-3-ил)этильным фрагментом
В. Б. Соколов, А. Ю. Аксиненко, Н. C. Николаева, В. В. Григорьев, А. С. Кинзирский, С. О. Бачурин
Изв. РАН. Сер. хим., Vol: 2014, No: 5 , published: 01 May 2014
Новые 3,5-бис(арилиден)-4-пиперидиноны с бисфосфонатным фрагментом: синтез и противоопухолевая активность
М. В. Макаров, Е. Ю. Рыбалкина, Г.-Ф. Рёшенталер
Изв. РАН. Сер. хим., Vol: 2014, No: 5 , published: 01 May 2014
Ацилирование 5, 7, 3′, 4′-тетрабензилдигидрокверцетина хлорангидридами гетероциклических карбоновых кислот
Нифантьев Э.Е., Коротеев А.М., Поздеев А.О., Коротеев М.П., Расадкина Е.Н.
Докл. РАН, Vol: 459, No: 5 , published: 01 May 2014
Coupled-cluster and density functional theory studies of the electronic 0–0 transitions of the DNA bases
Vasily A. Ovchinnikov,  Dage Sundholm
Phys. Chem. Chem. Phys., Vol: 16, No: 15 , published: 21 April 2014
Spectroscopic characterization of C7H3+ and C7H3˙: electronic absorption and fluorescence in 6 K neon matrices
Arghya Chakraborty, Jan Fulara, Rainer Dietsche, John P. Maier
Phys. Chem. Chem. Phys., Vol: 16, No: 15 , published: 21 April 2014
The response of the electronic structure to electronic excitation and double bond torsion in fulvene: a combined QTAIM, stress tensor and MO perspective
Samantha Jenkins, Lluís Blancafort, Steven R. Kirk, Michael J. Bearpark
Phys. Chem. Chem. Phys., Vol: 16, No: 15 , published: 21 April 2014
Two-Photon-Induced Fluorescence of Isomorphic Nucleobase Analogs
Richard S. K. Lane, Rosemary Jones, Renatus W. Sinkeldam, Yitzhak Tor, Steven W. Magennis
ChemPhysChem., Vol: 15, No: 5 , published: 04 April 2014
Functional Corannulene: Diverse Structures, Enhanced Charge Transport, and Tunable Optoelectronic Properties
Somananda Sanyal, Arun K. Manna, Swapan K. Pati
ChemPhysChem., Vol: 15, No: 5 , published: 04 April 2014
Clusters of Ammonium Cation—Hydrogen Bond versus σ-Hole Bond
Sławomir J. Grabowski
ChemPhysChem., Vol: 15, No: 5 , published: 04 April 2014
O[BOND]H⋅⋅⋅N and C[BOND]H⋅⋅⋅O Hydrogen Bonds Control Hydration of Pivotal Tropane Alkaloids: Tropinone⋅⋅⋅H2O Complex
Patricia Écija, Montserrat Vallejo-López, Luca Evangelisti, José A. Fernández, Alberto Lesarri, Walther Caminati, Emilio J. Cocinero
ChemPhysChem., Vol: 15, No: 5 , published: 04 April 2014
Получение и свойства ион-радикальных солей на основе бис(арен)хромовых комплексов и производных фуллерена
Г. В. Маркин, С. Ю. Кетков, М. А. Лопатин, В. А. Куропатов, А. С. Шавырин, В. К. Черкасов, Г. А. Домрачев
Изв. РАН. Сер. хим., Vol: 2014, No: 4 , published: 01 April 2014
A Facile Preparation, Characteristic Properties, and Crystal Structure of {4-[(E)-2-(3-Guaiazulenyl)diazenyl]phenyl}(3-guaiazulenyl)methylium Hexafluorophosphate
Shin-ichi Takekuma, Atsuki Seki, Toshie Minematsu
Bull. Chem. Soc. Jpn., Vol: 87, No: 4 , published: 01 April 2014
Photochromic Reaction of Diarylethenes Having Phenol Moiety as an Aryl Ring
Tadatsugu Yamaguchi, Yusuke Kamihashi, Toru Ozeki, Ayaka Uyama, Jun-ichiro Kitai, Megumi Kasuno, Kimio Sumaru, Yoshiro Kimura, Satoshi Yokojima, Shinichiro Nakamura, Masakazu Morimoto, Kingo Uchida
Bull. Chem. Soc. Jpn., Vol: 87, No: 4 , published: 01 April 2014
Рентгеноэлектронное изучение зарядового и спинового состояния атомов в тетраядерном комплексе меди(II) с нитроксильным радикалом (L) состава Cu4(OH)2(OАс)4(DMF)2(L)2
Л. Н. Мазалов, Н. А. Крючкова, А. Д. Федоренко, А. В. Калинкин, Е. В. Третьяков
Изв. РАН. Сер. хим., Vol: 2014, No: 4 , published: 01 April 2014
Гексафторизопропоксиды двух- и трехвалентных лантаноидов. Строение и люминесцентные свойства
Д. М. Кузяев, Р. В. Румянцев, Г. К. Фукин, М. Н. Бочкарев
Изв. РАН. Сер. хим., Vol: 2014, No: 4 , published: 01 April 2014
Excitation wavelength dependence of the charge separation pathways in tetraporphyrin-naphthalene diimide pentads
Diego Villamaina, Melissa M. A. Kelson, Sheshanath V. Bhosale, Eric Vauthey
Phys. Chem. Chem. Phys., Vol: 16, No: 11 , published: 21 March 2014
Photofragmentation spectroscopy of cold protonated aromatic amines in the gas phase
Géraldine Féraud, Michel Broquier, Claude Dedonder-Lardeux, Gilles Grégoire, Satchin Soorkia, Christophe Jouvet
Phys. Chem. Chem. Phys., Vol: 16, No: 11 , published: 21 March 2014
A spectroscopic investigation and molecular docking study on the interaction of hen egg white lysozyme with liposomes of saturated and unsaturated phosphocholines probed by an anticancer drug ellipticine
Anupam Das, Raina Thakur, Anuradha Dagar, Anjan Chakraborty
Phys. Chem. Chem. Phys., Vol: 16, No: 11 , published: 21 March 2014
A photo- and electrochemical investigation of BODIPY–cobaloxime complexes for hydrogen production, coupled with quantum chemical calculations
Jennifer C. Manton, Conor Long, Johannes G. Vos, Mary T. Pryce
Phys. Chem. Chem. Phys., Vol: 16, No: 11 , published: 21 March 2014
Weakly bound 87Rb2 (5s1/2+5p1/2)1g molecules: Hyperfine interaction and LeRoy-Bernstein analysis including linear and nonlinear terms
Haikel Jelassi and Laurence Pruvost
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 20 March 2014
Синтез и спектральные свойства симметричных анионных полиметиновых красителей на основе 4,5-динитро-2,7-бис(2,2,3,3,4,4,5,5-октафторпентилоксисульфонил)-9H-флуорена
И. В. Курдюкова, Н. А. Деревянко, А. А. Ищенко, Д. Д. Мысык
Изв. РАН. Сер. хим., Vol: 2014, No: 3 , published: 01 March 2014
Синтез и спектральные свойства новых гемицианиновых красителей
Х. А. Шинди, М. А. Эль-Махраби, Ф. М. Эйсса
Изв. РАН. Сер. хим., Vol: 2014, No: 3 , published: 01 March 2014
Комплексообразование FeIII, CuII и ZnII с L-3-(3,4-дигидроксифенил)-аланином в водных растворах
Р. Р. Амиров, А. Э. Мингазова, А. Б. Зиятдинова, Ю. И. Журавлева, А. Н. Солодов
Изв. РАН. Сер. хим., Vol: 2014, No: 3 , published: 01 March 2014
Excitation Characteristics and Vibronic Interaction of NH3 Molecule
Mao Huaping,Yang Lanrong,Shu Chunjun,Li Peng,Zhu Zhenghe
Acta opt. sin=Guangxue xuebao , Vol: 34, No: 3 , published: 01 March 2014
Interaction of Fluorescently Labeled Triethyleneglycol and Peptide Derivatives with β-Cyclodextrin
Mohamed-Anis Alouini , El-Farouck Moustoifa, Sandra Rubio-Albenque, Thomas Berthelot, Suzanne Fery-Forgues, Gérard Déléris
ChemPhysChem., Vol: 15, No: 3 , published: 24 February 2014
Iodinated AlIII-Based Phthalocyanines are Promising Sensitizers for Dye-Sensitized Solar Cells; A Theoretical Comparison Between ZnII, MgII, and AlIII-Based Phthalocyanine Sensitizers
Li-Na Yang, Zhu-Zhu Sun, Shi-Lu Chen, Ze-Sheng Li
ChemPhysChem., Vol: 15, No: 3 , published: 24 February 2014
Mixed Quantum-Classical Description of Excitation Energy Transfer in Supramolecular Complexes: Screening of the Excitonic Coupling
Jörg Megow,  Thomas Renger, Volkhard May
ChemPhysChem., Vol: 15, No: 3 , published: 24 February 2014
Cooperative and Diminutive Effects of Pnicogen Bonds and Cation–π Interactions
Qingzhong Li, Hongying Zhuo, Xin Yang, Jianbo Cheng, Wenzuo Li, Robert E. Loffredo
ChemPhysChem., Vol: 15, No: 3 , published: 24 February 2014
Environmental and complexation effects on the structures and spectroscopic signatures of organic pigments relevant to cultural heritage: the case of alizarin and alizarin–Mg(II)/Al(III) complexes
Luciano Carta, Malgorzata Biczysko, Julien Bloino, Daniele Licari and Vincenzo Barone
Phys. Chem. Chem. Phys., Vol: 16, No: 7 , published: 21 February 2014
New insight into the potential energy landscape and relaxation pathways of photoexcited aniline from CASSCF and XMCQDPT2 electronic structure calculations
Matthieu Sala, Oliver M. Kirkby, Stéphane Guérin and Helen H. Fielding
Phys. Chem. Chem. Phys., Vol: 16, No: 7 , published: 21 February 2014
Photoisomerization of the cyanoacrylic acid acceptor group – a potential problem for organic dyes in solar cells
Burkhard Zietz, Erik Gabrielsson, Viktor Johansson, Ahmed M. El-Zohry, Licheng Sun, Lars Kloo
Phys. Chem. Chem. Phys., Vol: 16, No: 6 , published: 14 February 2014
Theoretical and experimental determination of the absorption and emission spectra of a prototypical indolenine-based squaraine dye
Raffaele Borrelli, Silvano Ellena, Claudia Barolo
Phys. Chem. Chem. Phys., Vol: 16, No: 6 , published: 14 February 2014
Photophysics of a Schiff base: theoretical exploration of the excited-state deactivation mechanisms of N-salicilydenemethylfurylamine (SMFA)
Ahmad J. Moghadam, Reza Omidyan, Valiollah Mirkhani
Phys. Chem. Chem. Phys., Vol: 16, No: 6 , published: 14 February 2014
Thiocyanate-free cyclometalated ruthenium(II) sensitizers for DSSC: A combined experimental and theoretical investigation
Ramesh Kumar Chitumalla, Kankatala S. V. Gupta, Chandrasekhram Malapaka, Reza Fallahpour, Ashraful Islam, Liyuan Han, Bhanuprakash Kotamarthi, Surya Prakash Singh
Phys. Chem. Chem. Phys., Vol: 16, No: 6 , published: 14 February 2014
The benzoic acid–water complex: a potential atmospheric nucleation precursor studied using microwave spectroscopy and ab initio calculations
Elijah G. Schnitzler, Wolfgang Jäger
Phys. Chem. Chem. Phys., Vol: 16, No: 6 , published: 14 February 2014
Topological reaction sites – very strong chalcogen bonds
Esmail Alikhani, Franck Fuster, Bruno Madebene, Sławomir J. Grabowski
Phys. Chem. Chem. Phys., Vol: 16, No: 6 , published: 14 February 2014
The interaction of beryllium with benzene and graphene: a comparative investigation based on DFT, MP2, CCSD(T), CAS-SCF and CAS-PT2
Nicolas Fernandez, Yves Ferro, Yannick Carissan, Julien Marchois, Alain Allouche
Phys. Chem. Chem. Phys., Vol: 16, No: 5 , published: 07 February 2014
Vibronic spectra of the p-benzoquinone radical anion and cation: a matrix isolation and computational study
Krzysztof Piech, Thomas Bally, Takatoshi Ichino, John Stanton
Phys. Chem. Chem. Phys., Vol: 16, No: 5 , published: 07 February 2014
Fragmentation dynamics of the ethyl bromide and ethyl iodide cations: a velocity-map imaging study
Sara H. Gardiner, Tolga N. V. Karsili, M. Laura Lipciuc, Edward Wilman, Michael N. R. Ashfold, Claire Vallance
Phys. Chem. Chem. Phys., Vol: 16, No: 5 , published: 07 February 2014
Principles of phosphorescent organic light emitting devices
Boris Minaev, Gleb Baryshnikov, Hans Agren
Phys. Chem. Chem. Phys., Vol: 16, No: 5 , published: 07 February 2014
Substituent steering of dihedral angles around single bonds: the case of succinonitrile
Michaela K. Jahn, Jens-Uwe Grabow, Peter D. Godfrey, Don McNaughton
Phys. Chem. Chem. Phys., Vol: 16, No: 5 , published: 07 February 2014
Weak C–HN and C–HF hydrogen bonds and internal rotation in pyridine–CH3F
Lorenzo Spada, Qian Gou, Montserrat Vallejo-López, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati
Phys. Chem. Chem. Phys., Vol: 16, No: 5 , published: 07 February 2014
Lifetime Shortening and Fast Energy-Tansfer Processes upon Dimerization of a A-π-D-π-A Molecule
Elisabetta Collini, Luca Bolzonello, Mirco Zerbetto, Camilla Ferrante, Norberto Manfredi, Alessandro Abbotto
ChemPhysChem., Vol: 15, No: 2 , published: 03 February 2014
Синтез гетероциклических соединений на основе 4-формилпиразолов
В. Ю. Мортиков, Л. А. Родиновская, А. Е. Федоров, А. М. Шестопалов, П. А. Беляков
Изв. РАН. Сер. хим., Vol: 2014, No: 2 , published: 01 February 2014
Эффективный электрохимический метод синтеза пиридо[1,2-a]бензимидазолов
А. А. Соколов, М. А. Сыроешкин, В. Н. Солкан, Т. В. Шебунина, Р. С. Бегунов, Л. В. Михальченко, М. Ю. Леонова, В. П. Гультяй
Изв. РАН. Сер. хим., Vol: 2014, No: 2 , published: 01 February 2014
Projected shell model description for rotational bands in the proton emitter 141Ho
Bao-An Bian, Yang Sun, and Ying-Chun Yang
Phys. Rev. C: Nucl. Phys., Vol: 89, No: 1 , published: 23 January 2014
Полиморфизм три-(8-оксихинолятов) алюминия, галлия и индия
Р. И. Аветисов, А. А. Аккузина, А. Г. Чередниченко, А. В. Хомяков, И. Х. Аветисов
Докл. РАН, Vol: 454, No: 2 , published: 11 January 2014
Синтез перовскитоподобных титанатов натрия-неодима и исследование их фотокаталитических свойств
А. И. Гаврилов, Н. А. Белич, С. В. Шуваев, Д. О. Гиль, Б. Р. Чурагулов, Е. А. Гудилин
Докл. РАН, Vol: 454, No: 2 , published: 11 January 2014
Синтез, фотохромные и флуоресцентные свойства 3-(1-бензил-2-метил-5-метоксииндолил)-4-тиенилзамещенных фуран(пиррол)-2,5-дионов
Н. И. Макарова, Е. Н. Шепеленко, О. Г. Карамов, А. В. Метелица, В. А. Брень, В. И. Минкин
Изв. РАН. Сер. хим., Vol: 2014, No: 1 , published: 01 January 2014
Exciplex Emission from a Boron Dipyrromethene (Bodipy) Dye Equipped with a Dicyanovinyl Appendage
Adela Nano, Raymond Ziessel, Patrycja Stachelek, Mohammed A. H. Alamiry,  Anthony Harriman
ChemPhysChem., Vol: 15, No: 1 , published: 01 January 2014
Новые электроноакцепторные π-сопряженные пиренсодержащие полифенилхиноксалины
Кештов М.Л., Шарма (G. D.Sharma) Г.Д., Годовский Д.Ю., Беломоина Н.М., Янхоу Генг (Yanhou Geng), Инпинг Цзоу (Yingping Zou), Кочуров В.С., Стаханов А.И., Хохлов А.Р.
Докл. РАН, Vol: 456, No: 1 , published: 01 January 2014
Синтез и флуоресцентные свойства тиакаликс[4]аренов, содержащих терпиридильные фрагменты по нижнему ободу
А. А. Муравьев, В. А. Бурилов, С. Е. Соловьева, А. Г. Стрельник, Ш. К. Латыпов, О. Б. Базанова, Д. Р. Шарафутдинова, И. С. Антипин, А. И. Коновалов
Изв. РАН. Сер. хим., Vol: 2014, No: 1 , published: 01 January 2014
Study of the Diradicaloid Character in a Prototypical Pancake-Bonded Dimer: The Stacked Tetracyanoethylene (TCNE) Anion Dimer and the Neutral K2TCNE2 Complex
Zhong-hua Cui, Hans Lischka, Thomas Mueller, Felix Plasser, Miklos Kertesz
ChemPhysChem., Vol: 15, No: 1 , published: 01 January 2014
Синтез фосфорилированных пространственно затрудненных фенольных производных изатина
Ю. Н. Олудина, С. В. Бухаров, А. Р. Бурилов, Р. Г. Тагашева, В. В. Сякаев, Р. З. Мусин, Е. Ф. Ахметова, Г. Н. Нугуманова
Изв. РАН. Сер. хим., Vol: 2014, No: 1 , published: 01 January 2014
Синтез и стереохимия моно- и диацетиленовых производных 2,5-диметилтетрагидротиопиран-4-она
М. С. Муканова, К. Б. Ержанов
Изв. РАН. Сер. хим., Vol: 2014, No: 1 , published: 01 January 2014
Взаимодействие арилендиокситригалогенфосфоранов с ацетиленами Сообщение 12*. Алкилацетилены в реакции с 2,2,2-тригалогенбензо-1,3,2-диоксафосфолами
А. В. Немтарев, В. Ф. Миронов, Е. Н. Вараксина, А. Т. Губайдуллин, Д. Б. Криволапов, Р. З. Мусин, И. А. Литвинов
Изв. РАН. Сер. хим., Vol: 2014, No: 1 , published: 01 January 2014
Hydrogen mimicking the properties of coinage metal atoms in Cu and Ag monohydride clusters
Karsten Vetter, Sebastian Proch, Gerd. F. Ganteför, Swayamprabha Behera and Puru Jena
Phys. Chem. Chem. Phys., Vol: 15, No: 48 , published: 28 December 2013
Новый водорастворимый полисилоксан для биомедицинского применения
Е. Ю. Ладилина, Т. С. Любова, Ю. П. Клапшин, М. А. Лопатин, В. В. Семёнов, Г. А. Домрачев
Докл. РАН, Vol: 453, No: 6 , published: 21 December 2013
Evaluating push–pull dye efficiency using TD-DFT and charge transfer indices
Gregorio García, Carlo Adamo, Ilaria Ciofini
Phys. Chem. Chem. Phys., Vol: 15, No: 46 , published: 14 December 2013
The pressure dependence of the solid state structure of biphenyl from DFT calculations
Oliver Potzel, Gerhard Taubmann
Phys. Chem. Chem. Phys., Vol: 15, No: 46 , published: 14 December 2013
Benchmark calculations of metal carbonyl cations: relativistic vs. electron correlation effects
Eduard Matito, Pedro Salvador, Jacek Styszyński
Phys. Chem. Chem. Phys., Vol: 15, No: 46 , published: 14 December 2013
High-resolution photoassociation spectroscopy of the 6Li2 A(11Σu+) state
Will Gunton, Mariusz Semczuk, Nikesh S. Dattani, and Kirk W. Madison
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 6 , published: 12 December 2013
Gas-phase spectroscopy of protonated adenine, adenosine 5′-monophosphate and monohydrated ions
Sara Øvad Pedersen, Kristian Støchkel, Camilla Skinnerup Byskov, Lisbeth Munksgaard Baggesen and Steen Brøndsted Nielsen
Phys. Chem. Chem. Phys., Vol: 15, No: 45 , published: 07 December 2013
Tracking the stilbene photoisomerization in the S1 state using RASSCF
Gaia Tomasello, Marco Garavelli and Giorgio Orlandi  
Phys. Chem. Chem. Phys., Vol: 15, No: 45 , published: 07 December 2013
Evidence of excited state localization and static disorder in LH2 investigated by 2D-polarization single-molecule imaging at room temperature
Sumera Tubasum, Rafael Camacho, Matthias Meyer, Dheerendra Yadav, Richard J. Cogdell, Tõnu Pullerits and Ivan G. Scheblykin
Phys. Chem. Chem. Phys., Vol: 15, No: 45 , published: 07 December 2013
Исследование процессов комплексообразования фотохромного гибридного спирооксазина с ионами металлов
Попов Л.Д., Зайченко Н.Л., Барачевский В.А., Кобелева О.И., Валова Т.М., Кольцова Л.С., Шиенок А.И., Левченков С.И., Коган В.А.
Ж. общ. химии, Vol: 83, No: 12 , published: 01 December 2013
Supramolecular Chemistry of Pyrrole-Based π-Conjugated Molecules
Hiromitsu Maeda
Bull. Chem. Soc. Jpn., Vol: 86, No: 12 , published: 01 December 2013
Studies on DNA Binding of a Double-chain Surfactant Cobalt(III) Complex Containing 2,2′-Bipyridine Ligand
Nagaraj Karuppiah,  Arunachalam Sankaralingam
Z. phys. Chem., Vol: 227, No: 12 , published: 01 December 2013
Комплексы с переносом заряда фуллерена С60 с производными N,N-диметиланила
Лопатин М.А., Шурыгина М.П., Лопатина Т.И., Казарин А.С.
Ж. общ. химии, Vol: 83, No: 12 , published: 01 December 2013
Реакции хлоридов P(III) с альдегидами. II. Взаимодействие первичных интермедиатов с апротонными нуклеофилами: оксидом этилена, ацеталями, триалкилортоформиатами и триалкилфосфитам
Газизов М.Б., Хайруллин Р.А., Каримова Р.Ф.
Ж. общ. химии, Vol: 83, No: 12 , published: 01 December 2013
A systematic theoretical study of the electronic structures of porphyrin dimers: DFT and TD-DFT calculations on diporphyrins linked by ethane, ethene, ethyne, imine, and azo bridges
Llew Rintoul, Shannon R. Harper, Dennis P. Arnold
Phys. Chem. Chem. Phys., Vol: 15, No: 43 , published: 21 November 2013
Комплексообразование кардиолипина с ДНК по данным спектроскопии кругового дихроизма и спектрофотометрии
Р. И. Жданов, А. С. Крылов, Т. В. Зарубина, Г. Бишофф , М. Я. Ибрагимова
Докл. РАН, Vol: 453, No: 3 , published: 21 November 2013
The evaluation of NIR-absorbing porphyrin derivatives as contrast agents in photoacoustic imaging
Akram Abuteen, Saeid Zanganeh, Joshua Akhigbe, Lalith P. Samankumara, Andres Aguirre, Nrusingh Biswal, Marcel Braune, Anke Vollertsen, Beate Röder, Christian Brückner and Quing
Phys. Chem. Chem. Phys., Vol: 15, No: 42 , published: 14 November 2013
Molecular structure and hydrogen bonding in pure liquid ethylene glycol and ethylene glycol–water mixtures studied using NIR spectroscopy
Yujing Chen, Yukihiro Ozaki and Mirosław A. Czarnecki
Phys. Chem. Chem. Phys., Vol: 15, No: 42 , published: 14 November 2013
Computational design of concomitant type-I and type-II porphyrin sensitized solar cells
Saied Md. Pratik and Ayan Datta
Phys. Chem. Chem. Phys., Vol: 15, No: 42 , published: 14 November 2013
The origin of the strong interfacial charge-transfer absorption in the surface complex between TiO2 and dicyanomethylene compounds
Ryota Jono, Jun-ichi Fujisawa, Hiroshi Segawa and Koichi Yamashita
Phys. Chem. Chem. Phys., Vol: 15, No: 42 , published: 14 November 2013
Theoretical exploration of structures and electronic properties of double-electron oxidized guanine–cytosine base pairs with intriguing radical–radical interactions
Mei Wang, Jing Zhao and Yuxiang Bu
Phys. Chem. Chem. Phys., Vol: 15, No: 42 , published: 14 November 2013
Spin–orbit and relativistic all-electron potential energy curves for the ground and low-lying excited states of AgAu
Davood Alizadeh, Zahra Jamshidi and Alireza Shayesteh
Phys. Chem. Chem. Phys., Vol: 15, No: 42 , published: 14 November 2013
Hyperfine and vibrational structure of weakly bound levels of the lowest 1g state of molecular 87Rb2
Chin-Chun Tsai, T. Bergeman, E. Tiesinga, P. S. Julienne, and D. J. Heinzen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 5 , published: 13 November 2013
Синтез и фотохромные свойства новых несимметричных дигетарилэтенов на основе N-изопропилиндола и тиофена
Н. И. Макарова, Е. Н. Шепеленко, А. В. Метелица, В. А. Брень, В. И. Минкин
Изв. РАН. Сер. хим., Vol: 2013, No: 11 , published: 01 November 2013
Quantum Chemical Designing of Efficient TC4-Based Sensitizers by Modification of Auxiliary Donor and π-Spacer
Muhammad Imran Abdullah, Muhammad Ramzan Saeed Ashraf Janjua, Muhammad Faizan Nazar, Asif Mahmood
Bull. Chem. Soc. Jpn., Vol: 86, No: 11 , published: 01 November 2013
trans-Bisglycoconjugation is an Efficient and Robust Architecture for PDT Photosensitizers Based on 5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin Derivatives
Shiho Hirohara, Kohei Sharyo, Yuji Kawasaki, Masayasu Totani, Ayumi Tomotsuka, Ryota Funasako, Nobutaka Yasui, Yasuchika Hasegawa, Junpei Yuasa, Takuya Nakashima, Tsuyoshi Kawai, Chio Oka, Masashi Kawaichi, Makoto Obata, Masao Tanihara
Bull. Chem. Soc. Jpn., Vol: 86, No: 11 , published: 01 November 2013
Chemistry of Anthracene–Acetylene Oligomers. XXIII. Molecular Structures and Stereochemistry of Anthracene–Diacetylene Cyclic Dimers Having Two Intraannular Alkoxy Groups
Shinji Toyota, Takuya Tsuya, Tetsuo Iwanaga
Bull. Chem. Soc. Jpn., Vol: 86, No: 11 , published: 01 November 2013
Экстракция пероксиднокарбонатных комплексов U(VI) из карбонатых растворов карбонатом метилтриоктиламмония
С. И. Степанов, Хан Вин Со, Сан Тун, А. В. Бояринцев, А. М. Чекмарев
Докл. РАН, Vol: 453, No: 1 , published: 01 November 2013
A Density Functional Analysis on Formation of Rubidium and Cesium Atomic Clusters in the Highest Spin State
Xuan Liu, Haruhiko Ito, Eiko Torikai
Bull. Chem. Soc. Jpn., Vol: 86, No: 11 , published: 01 November 2013
Новые N-замещенные сульфинамиды неоментанового ряда
Е. С. Изместьев, Д. В. Судариков, С. А. Рубцова, П. А. Слепухин, А. В. Кучин
Изв. РАН. Сер. хим., Vol: 2013, No: 11 , published: 01 November 2013
Циклоконденсация низших алифатических альдегидов с ароматическими аминами и циклопентадиеном
А. Г. Толстиков, Р. Г. Савченко, Е. С. Лукина, С. Р. Афонькина, Д. В. Недопекин, Л. М. Халилов, В. Н. Одиноков
Изв. РАН. Сер. хим., Vol: 2013, No: 11 , published: 01 November 2013
Гидрохлориды 3-(гет)арилглутаминовых кислот: синтез и строение
В. М. Берестовицкая, О. С. Васильева, Е. С. Остроглядов, И. Н. Тюренков, И. В. Ананьев, К. А. Лысенко, В. Н. Перфилова, В. В. Багметова
Изв. РАН. Сер. хим., Vol: 2013, No: 11 , published: 01 November 2013
Взаимодействие донорно-акцепторных циклопропанов с 1,3-дифенилизобензофураном. Влияние кислоты Льюиса на направление реакции
А. О. Чагаровский, О. А. Иванова, Е. М. Будынина, Е. Л. Колычев, М. С. Нечаев, И. В. Трушков, М. Я. Мельников
Изв. РАН. Сер. хим., Vol: 2013, No: 11 , published: 01 November 2013
Electronic excited states and electronic spectra of biphenyl: a study using many-body wavefunction methods and density functional theories
Ryoichi Fukuda and Masahiro Ehara
Phys. Chem. Chem. Phys., Vol: 15, No: 40 , published: 28 October 2013
Effect of the acceptor on the performance of dye-sensitized solar cells
Ming Cheng, Xichuan Yang, Cheng Chen, Jianghua Zhao, Qin Tan and Licheng Sun
Phys. Chem. Chem. Phys., Vol: 15, No: 40 , published: 28 October 2013
Theoretical analysis and quantification of the absorption spectra of uranyl complexes with structurally-related tridentate ligands
Guokui Liu, Linfeng Rao and Guoxin Tian
Phys. Chem. Chem. Phys., Vol: 15, No: 40 , published: 28 October 2013
The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies
E. J. Baerends, O. V. Gritsenko, R. van Meer
Phys. Chem. Chem. Phys., Vol: 15, No: 39 , published: 21 October 2013
New Anthracene Derivatives as Triplet Acceptors for Efficient Green-to-Blue Low-Power Upconversion
Zuo-Qin Liang, Bin Sun,  Chang-Qing Ye, Xiao-Mei Wang,  Xu-Tang Tao, Qin-Hua Wang, Ping Ding, Bao Wang, Jing-Jing Wang
ChemPhysChem., Vol: 14, No: 15 , published: 21 October 2013
Superfluorescent Squaraine with Efficient Two-Photon Absorption and High Photostability
Kevin D. Belfield, Mykhailo V. Bondar, Hafeez S. Haniff, Ivan A. Mikhailov, Gheorghe Luchita,  Olga V. Przhonska
ChemPhysChem., Vol: 14, No: 15 , published: 21 October 2013
How do Pseudoenantiomers Structurally Differ in the Gas Phase? An IR/UV Spectroscopy Study of Jet-Cooled Hydroquinine and Hydroquinidine
Ananya Sen, Valeria Lepere, Katia Le Barbu-Debus, Anne Zehnacker
ChemPhysChem., Vol: 14, No: 15 , published: 21 October 2013
A Potential Carcinogenic Pyrene Derivative under Förster Resonance Energy Transfer to Various Energy Acceptors in Nanoscopic Environments
Soma Banerjee, Nirmal Goswami, Samir Kumar Pal
ChemPhysChem., Vol: 14, No: 15 , published: 21 October 2013
Synthesis and photophysics of novel biocompatible fluorescent oxocines and azocines in aqueous solution
A. Ulises Acuña, Mónica Álvarez-Pérez, Marta Liras, Pedro B. Coto, Francisco Amat-Guerri
Phys. Chem. Chem. Phys., Vol: 15, No: 39 , published: 21 October 2013
On the stability of cationic complexes of neon with helium – solving an experimental discrepancy
Peter Bartl, Stephan Denifl, Paul Scheier, Olof Echt
Phys. Chem. Chem. Phys., Vol: 15, No: 39 , published: 21 October 2013
The dissociation of glycolate—astrochemical and prebiotic relevance
Anton Simakov, Glenn B. S. Miller, Arne J. C. Bunkan, Mark R. Hoffmann, Einar Uggerud
Phys. Chem. Chem. Phys., Vol: 15, No: 39 , published: 21 October 2013
Why spin contamination is a major problem in the calculation of spin–spin coupling in triplet biradicals
Patrick Jost,  Christoph van Wüllen
Phys. Chem. Chem. Phys., Vol: 15, No: 39 , published: 21 October 2013
Accurate molecular structure and spectroscopic properties of nucleobases: a combined computational–microwave investigation of 2-thiouracil as a case study
Cristina Puzzarini, Malgorzata Biczysko, Vincenzo Barone, Isabel Peña, Carlos Cabezas, José L. Alonso
Phys. Chem. Chem. Phys., Vol: 15, No: 39 , published: 21 October 2013
Triangular Core–Shell ZnO@SiO2 Nanoparticles
Vijay Bhooshan Kumar, Aharon Gedanken, Pradip Paik
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Comprehensive and Accurate Ab Initio Energy Surface of Simple Alanine Peptides
Giuseppe Lanza,  Maria A. Chiacchio
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Difference in the Photophysical Properties of a Perylenetetracarboxylic Diimide Dimer and a Hexamer Linked by the Same Hexaphenylbenzene Group
Lin Xue, Yan Shi, Liangliang Zhang, Xiyou Li
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Ultrafast Photoinduced Electron Transfer in Viologen-Linked BODIPY Dyes
Denis Frath,James E. Yarnell, Gilles Ulrich, Felix N. Castellano, Raymond Ziessel
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Torsional Dynamics of Thioflavin T in Room-Temperature Ionic Liquids: An Effect of Heterogeneity of the Medium
Aninda Chatterjee, Banibrata Maity, Debabrata Seth
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Influence of the Metal Ion on the Two-Photon Absorption Properties of Lanthanide Complexes Including Near-IR Emitters
Adrien Bourdolle, Mustapha Allali, Anthony D'Aléo, Patrice L. Baldeck, Kenji Kamada, J. A. Gareth Williams, Hubert Le Bozec,  Chantal Andraud, Olivier Maury
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Reactivity of Dicoordinated Stannylones (Sn0) versus Stannylenes (SnII): An Investigation Using DFT-Based Reactivity Indices
Lies Broeckaert, Gernot Frenking, Paul Geerlings, Frank De Proft
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Probing Rapidly-Ionizing Super-Atom Molecular Orbitals in C60: A Computational and Femtosecond Photoelectron Spectroscopy Study
Benoît Mignolet, J. Olof Johansson, Eleanor E. B. Campbell, Françoise Remacle
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Cyclometalated rhodium complexes of phenyl- and diphenyl-substituted oxazole and thiazole luminophores
E. A. Katlenok, K. P. Balashev
Ж. общ. химии, Vol: 82, No: 10 , published: 01 October 2013
Synthesis and spectral properties of unsymmetrical phthalocyanines from 3,6-dioctyloxyphthalonitrile and 3,4,5,6-tetrachlorophthalonitrile
N. E. Galanin, G. P. Shaposhnikov
Ж. общ. химии, Vol: 82, No: 10 , published: 01 October 2013
1,2-Bis(ferrocenyl)dipnictenes: Bimetallic Systems with a Pn=Pn Heavy π-Spacer (Pn: P, Sb, and Bi)
Michiyasu Sakagami, Takahiro Sasamori, Heisuke Sakai, Yukio Furukawa, Norihiro Tokitoh
Bull. Chem. Soc. Jpn., Vol: 86, No: 10 , published: 01 October 2013
Synthesis and Solvatochromic Behavior of Pyrene Derivatives with 4-Hydroxyphenyl and 4-Hydroxyphenylethynyl Groups
Isao Yamaguchi, Katsuhiko Sato
Bull. Chem. Soc. Jpn., Vol: 86, No: 10 , published: 01 October 2013
Procedure for the analysis of interfragment donor-acceptor interactions in transition metal complexes
O. V. Sizova
Ж. общ. химии, Vol: 82, No: 10 , published: 01 October 2013
Tetraanthraquinonoporphyrazines: III. Synthesis and physicochemical properties of metal complexes of hydroxy-substituted tetraanthraquinonoporphyrazines
A. V. Borisov, V. E. Maizlish, G. P. Shaposhnikov, A. B. Korzhenevskii, T. G. Shikova, V. V. Sokolova, O. I. Koifman
Ж. общ. химии, Vol: 82, No: 10 , published: 01 October 2013
Синтез, строение и свойства трехъядерных пивалатных комплексов {Zn2Eu} с N-донорными лигандами
Е. А. Михалева, М. А. Кискин, В. В. Павлищук, А. А. Сидоров, И. Л. Еременко
Изв. РАН. Сер. хим., Vol: 2013, No: 10 , published: 01 October 2013
Спектральные свойства протонированного нафтилпиридина в присутствии циклодекстринов
В. Б. Назаров, В. Г. Авакян, М. В. Фомина, А. И. Ведерников, М. В. Алфимов, С. П. Громов
Изв. РАН. Сер. хим., Vol: 2013, No: 10 , published: 01 October 2013
Synthesis, transport and ionophore properties of α,ω-biphosphorylated azapodands: V. Acid-base properties of new phosphorylated azapodands and α,ω-diamines and their participation in the membrane transport of I–III groups metal ions
A. R. Garifzyanov, R. R. Davletshin, N. V. Davletshina, R. A. Cherkasov
Ж. общ. химии, Vol: 82, No: 10 , published: 01 October 2013
Quantum Chemical Studies on Dioxygen Activation and Methane Hydroxylation by Diiron and Dicopper Species as well as Related Metal–Oxo Species
Kazunari Yoshizawa
Bull. Chem. Soc. Jpn., Vol: 86, No: 10 , published: 01 October 2013
Dimephosphone analogs: I. Synthesis and structure of some dimephosphone aryl- and acylhydrazones
B. I. Buzykin, V. N. Nabiullin, E. V. Mironova, A. A. Kostin, D. A. Tatarinov, V. F. Mironov, I. A. Litvinov
Ж. общ. химии, Vol: 82, No: 10 , published: 01 October 2013
Synthesis of the europium organic phosphate and phosphoramide complexes
A. V. Zdravkov, E. L. Aleksandrova, V. A. Aseev, N. N. Khimich
Ж. общ. химии, Vol: 82, No: 10 , published: 01 October 2013
Synthesis and biological activity of dialkylamino-substituted phosphine oxides
A. N. Yarkevich, L. N. Petrova, S. O. Bachurin
Ж. общ. химии, Vol: 82, No: 10 , published: 01 October 2013
Synthesis, structure, and properties of pyrazole-4-carbaldehyde oximes
O. S. Attaryan, A. A. Sahakyan, R. A. Tamazyan, A. G. Ayvazyan, G. V. Asratyan
Ж. общ. химии, Vol: 82, No: 10 , published: 01 October 2013
Реакции пероксида водорода с ацетилацетоном и 2-ацетилциклопентаноном
В. Л. Новиков, О. П. Шестак
Изв. РАН. Сер. хим., Vol: 2013, No: 10 , published: 01 October 2013
Диаминометилиденовые производные пиразол-5-она как реагенты для синтеза гетероциклических соединений и новые хелатирующие лиганды
С. В. Рубан, М. А. Презент, С. В. Баранин, В. А. Дорохов
Изв. РАН. Сер. хим., Vol: 2013, No: 10 , published: 01 October 2013
Синтез хиральных хроменов из левоглюкозенона
А. В. Самет, Д. Н. Лутов, С. И. Фирганг, Ю. В. Нелюбина, В. В. Семенов
Изв. РАН. Сер. хим., Vol: 2013, No: 10 , published: 01 October 2013
Взаимодействие 2-трифторметилхромонов с циануксусным и малоновым эфирами. Синтез новых производных бензо[c]кумарина
В. Я. Сосновских, А. В. Сафрыгин, В. А. Ануфриев
Изв. РАН. Сер. хим., Vol: 2013, No: 10 , published: 01 October 2013
Синтез (N-акрилоил)пиперазинозамещенных полифторхалконов
Е. А. Бородина, Н. А. Орлова, В. В. Шелковников
Изв. РАН. Сер. хим., Vol: 2013, No: 10 , published: 01 October 2013
Contribution of the deuteron quadrupole moment to the hyperfine structure of D2+
Pei-Pei Zhang, Zhen-Xiang Zhong, and Zong-Chao Yan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 30 September 2013
Auger formation of the (3Heμp)J2+ molecule in collisions of muonic hydrogen pμ with helium at energies 0.1--50 eV
W. Czapliński
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 25 September 2013
High energy resolution core-level X-ray spectroscopy for electronic and structural characterization of osmium compounds
Kirill A. Lomachenko, Claudio Garino, Erik Gallo, Diego Gianolio, Roberto Gobetto, Pieter Glatzel, Nikolay Smolentsev, Grigory Smolentsev, Alexander V. Soldatov, Carlo Lamberti, Luca Salassa
Phys. Chem. Chem. Phys., Vol: 15, No: 38 , published: 14 September 2013
Simulation of ultrafast photodynamics of pyrrole with a multiconfigurational Ehrenfest method
Kenichiro Saita, Michael G. D. Nix, Dmitrii V. Shalashilin
Phys. Chem. Chem. Phys., Vol: 15, No: 38 , published: 14 September 2013
Energy transfer in coumarin-sensitised lanthanide luminescence: investigation of the nature of the sensitiser and its distance to the lanthanide ion
Julien Andres, Anne-Sophie Chauvin
Phys. Chem. Chem. Phys., Vol: 15, No: 38 , published: 14 September 2013
Stepwise versus pseudo-concerted two-electron-transfer in a triarylamine–iridium dipyrrin–naphthalene diimide triad
Johannes H. Klein, Travis L. Sunderland, Christina Kaufmann, Marco Holzapfel, Alexander Schmiedel, Christoph Lambert
Phys. Chem. Chem. Phys., Vol: 15, No: 38 , published: 14 September 2013
The X–CY (X = O/F, Y = O/S/F/Cl/Br/N/P) ‘carbon bond’ and hydrophobic interactions
Devendra Mani, E. Arunan
Phys. Chem. Chem. Phys., Vol: 15, No: 34 , published: 14 September 2013
From hydrogen bond donor to acceptor: the effect of ethanol fluorination on the first solvating water molecule
Matthias Heger, Tina Scharge, Martin A. Suhm
Phys. Chem. Chem. Phys., Vol: 15, No: 38 , published: 14 September 2013
Attenuated second-order Møller–Plesset perturbation theory: performance within the aug-cc-pVTZ basis
Matthew Goldey, Anthony Dutoi, Martin Head-Gordon
Phys. Chem. Chem. Phys., Vol: 15, No: 38 , published: 14 September 2013
Experimental and theoretical studies of CO2 spectra for planetary atmosphere modelling: region 600–9650 cm−1 and pressures up to 60 atm
Nikolai N. Filippov, Ruslan E. Asfin, Tatiana N. Sinyakova, Ivan M. Grigoriev, Tatiana M. Petrova, Alexandr M. Solodov, Alexandr A. Solodov and Jeanna V. Buldyreva
Phys. Chem. Chem. Phys., Vol: 15, No: 33 , published: 07 September 2013
Comprehensive investigation of the excited-state dynamics of push–pull triphenylamine dyes as models for photonic applications
Eléna Ishow, Gilles Clavier, Fabien Miomandre, Mateusz Rebarz, Guy Buntinx and Olivier Poizat
Phys. Chem. Chem. Phys., Vol: 15, No: 33 , published: 07 September 2013
Intramolecular proton transfer (IPT) in alkoxyamine: a theoretical investigation
Dmitriy Parkhomenko, Elena G. Bagryanskaya, Sylvain R. A. Marque and Didier Siri
Phys. Chem. Chem. Phys., Vol: 15, No: 33 , published: 07 September 2013
Dipole transitions in the bound rotational-vibrational spectrum of the heteronuclear molecular ion HD+
Horacio Olivares Pilón and Daniel Baye
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 3 , published: 04 September 2013
Кристаллическое строение и люминесцентные свойства 4-(4-бензоилокси-2-гидроксифенил)-6-фенил-2,2-дифтор-1,3,2-диоксаборина
Б. В. Буквецкий, Е. В. Федоренко, А. Г. Мирочник
Изв. РАН. Сер. хим., Vol: 2013, No: 9 , published: 01 September 2013
Синтез, спектральные свойства и конформации нелинейных кросс-сопряженных полиенов, содержащих пирановый или дигидропиридиновый фрагмент
Ж. А. Красная, Е. О. Дорофеева, В. В. Качала, А. С. Татиколов, С. Г. Злотин
Изв. РАН. Сер. хим., Vol: 2013, No: 9 , published: 01 September 2013
Фотохромные превращения в ряду цимантрениламидов
Е. С. Келбышева, Л. Н. Телегина, И. А. Годовиков, Т. В. Стрелкова, М. Г. Езерницкая, Б. В. Локшин, Н. М. Лойм
Изв. РАН. Сер. хим., Vol: 2013, No: 9 , published: 01 September 2013
Циклические бисамидофосфиты на основе 1,6-дигидроксинафталина
П. В. Слитиков, Е. Н. Расадкина, Л. К. Васянина, Э. Е. Нифантьев
Изв. РАН. Сер. хим., Vol: 2013, No: 9 , published: 01 September 2013
Абсолютная конфигурация (+)- и (–)-1-фенилундец-4-ин-3-олов. Синтез (R)-4-додеканолида — компонента защитного секрета жука Bledius mandibullaris
А. Л. Власюк, В. А. Вобликова, Г. Д. Гамалевич, Э. П. Серебряков
Изв. РАН. Сер. хим., Vol: 2013, No: 9 , published: 01 September 2013
Analyzing and modeling the interaction potential of the ground-state beryllium dimer
X. W. Sheng, X. Y. Kuang, P. Li, and K. T. Tang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 27 August 2013
Electronic properties of CuPc and H2Pc: an experimental and theoretical study
Marco Vittorio Nardi, Francesca Detto, Lucrezia Aversa, Roberto Verucchi, Giancarlo Salviati, Salvatore Iannotta and Maurizio Casarin
Phys. Chem. Chem. Phys., Vol: 15, No: 31 , published: 21 August 2013
Structures and nonlinear optical properties of the endohedral metallofullerene-superhalogen compounds Li@C60–BX4 (X = F, Cl, Br)
Shu-Jian Wang, Ying Li, Yin-Feng Wang, Di Wu and Zhi-Ru Li
Phys. Chem. Chem. Phys., Vol: 15, No: 31 , published: 21 August 2013
First example of a high-level correlated calculation of the indirect spin–spin coupling constants involving tellurium: tellurophene and divinyl telluride
Yury Yu. Rusakov, Leonid B. Krivdin, Freja F. Østerstrøm, Stephan P. A. Sauer, Vladimir A. Potapov and Svetlana V. Amosova
Phys. Chem. Chem. Phys., Vol: 15, No: 31 , published: 21 August 2013
Quasipinning and entanglement in the lithium isoelectronic series
Carlos L. Benavides-Riveros, José M. Gracia-Bondía, and Michael Springborg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 19 August 2013
Fourier transform spectroscopy and extended deperturbation treatment of the spin-orbit-coupled A 1Σu+ and b 3Πu states of the Rb2 molecule
A. N. Drozdova, A. V. Stolyarov, M. Tamanis, R. Ferber, P. Crozet, and A. J. Ross
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 2 , published: 09 August 2013
Supramolecular Helical Columnar Structures Formed by Hydrogen-Bonded Disk-Like (Phenylethynyl)benzene Derivatives with L-Alanine Pendant Groups: Helix Stability and Supramolecular Helical Sense Inversion
Koichi Sakajiri, Takahiro Hirama, Keiichi Yasuda, Shoichi Kutsumizu, Junji Watanabe
Bull. Chem. Soc. Jpn., Vol: 86, No: 8 , published: 01 August 2013
Syntheses, Redox Properties, Self-Assembled Structures, and Charge-Transfer Complexes of Imidazole- and Benzimidazole-Annelated Tetrathiafulvalene Derivatives
Tsuyoshi Murata, Yosuke Yamamoto, Yumi Yakiyama, Kazuhiro Nakasuji, Yasushi Morita
Bull. Chem. Soc. Jpn., Vol: 86, No: 8 , published: 01 August 2013
Preparation, Crystal Structure, and Spectroscopic, Chemical, and Electrochemical Properties of (2E,4E)-1-(3-Guaiazulenyl)-4-(2-thienyl)-1,3-butadiene
Shin-ichi Takekuma, Norihito Kobayashi, Toshie Minematsu, Hideko Takekuma
Bull. Chem. Soc. Jpn., Vol: 86, No: 8 , published: 01 August 2013
Аддукты бис(салицилальдиминатов)кобальта(II) и редокс-активного феноксазин-1-она: синтез, строение и магнитные свойства
М. Ю. Антипин, Е. П. Ивахненко, Ю. В. Кощиенко, П. А. Князев, М. С. Коробов, А. В. Чернышев, К. А. Лысенко, А. Г. Стариков, В. И. Минкин
Изв. РАН. Сер. хим., Vol: 2013, No: 8 , published: 01 August 2013
Синтез, строение и люминесцентные свойства октаэдрического кластерного комплекса молибдена [Mo6I8(SC6F4H)6]2
М. Н. Соколов, М. А. Михайлов, А. В. Вировец, К. А. Брылев, Р. А. Бредихин, А. М. Максимов, В. Е. Платонов, В. П. Федин
Изв. РАН. Сер. хим., Vol: 2013, No: 8 , published: 01 August 2013
Квантово-химическое изучение диссоциации связи Сспиро—О в молекулах спиропиранов
С. М. Алдошин, К. В. Боженко, А. Н. Утенышев
Изв. РАН. Сер. хим., Vol: 2013, No: 8 , published: 01 August 2013
N,N'-Диэtил-1,3-пропaндиaмин и реакции аминометилирования дигидрокверцетина
Э. Е. Нифантьев, С. Е. Мосюров, Т. С. Кухарева, Л. К. Васянина
Докл. РАН, Vol: 451, No: 4 , published: 01 August 2013
Бисалкильный комплекс иттрия, содержащий новый тридентатный амидинатный лиганд: синтез и строение
М. В. Яковенко, А. В. Черкасов, Г. К. Фукин, А. А. Трифонов
Изв. РАН. Сер. хим., Vol: 2013, No: 8 , published: 01 August 2013
Синтез и строение бис-иминов 2,2´-диаминодифенилдителлурида
И. С. Васильченко, И. Г. Бородкина, А. С. Бурлов, Н. В. Карпова, Г. М. Абакаров, К. А. Лысенко, Г. С. Бородкин, И. Е. Уфлянд, А. Д. Гарновский, В. И. Минкин
Изв. РАН. Сер. хим., Vol: 2013, No: 8 , published: 01 August 2013
Periodic decay in the photoisomerisation of p-aminoazobenzene
José A. Gámez, Oliver Weingart, Axel Koslowski, Walter Thiel
Phys. Chem. Chem. Phys., Vol: 15, No: 28 , published: 28 July 2013
Binding energy determination in a π-stacked aromatic cluster: the anisole dimer
F. Mazzoni, M. Pasquini, G. Pietraperzia, M. Becucci
Phys. Chem. Chem. Phys., Vol: 15, No: 27 , published: 21 July 2013
Intramolecular halogen–halogen bonds?
Mikael P. Johansson, Marcel Swart
Phys. Chem. Chem. Phys., Vol: 15, No: 27 , published: 21 July 2013
Reaction selectivity in an ionized water dimer: nonadiabatic ab initio dynamics simulations
Ondřej Svoboda, Daniel Hollas, Milan Ončák, Petr Slavíček
Phys. Chem. Chem. Phys., Vol: 15, No: 27 , published: 21 July 2013
Extending the distance range accessed with continuous wave EPR with Gd3+ spin probes at high magnetic fields
Devin T. Edwards, Zhidong Ma, Thomas J. Meade, Daniella Goldfarb, Songi Han, Mark S. Sherwin
Phys. Chem. Chem. Phys., Vol: 15, No: 27 , published: 21 July 2013
Nuclear spin–spin coupling anisotropy in the van der Waals-bonded 129Xe dimer
Jukka Jokisaari, Juha Vaara
Phys. Chem. Chem. Phys., Vol: 15, No: 27 , published: 21 July 2013
Centrifugal correction to hyperfine structure constants in the ground state of lead monofluoride
A. N. Petrov, L. V. Skripnikov, A. V. Titov, and R. J. Mawhorter
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 19 July 2013
Shape-dependent two-photon absorption in two-dimensionally extended benzoporphyrin arrays
Pyosang Kim, Sujin Ham, Juwon Oh, Hiroki Uoyama, Hajime Watanabe, Kazunari Tagawa, Hidemitsu Uno, Dongho Kim
Phys. Chem. Chem. Phys., Vol: 15, No: 26 , published: 14 July 2013
Ab initio insight into ultrafast nonadiabatic decay of hypoxanthine: keto-N7H and keto-N9H tautomers
Xugeng Guo, Zhenggang Lan, Zexing Cao
Phys. Chem. Chem. Phys., Vol: 15, No: 26 , published: 14 July 2013
Asymmetries in production of He+(n=2) with an intense few-cycle attosecond pulse
J. M. Ngoko Djiokap, S. X. Hu, Wei-Chao Jiang, Liang-You Peng, and Anthony F. Starace
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 08 July 2013
Ab initio and DFT analysis of the low-lying electronic states of metal dihalides: quantum chemical calculations on the neutral BrMCl (M = Cu, Ag, Au)
Michiko Atsumi, Roland Lindh, Leticia González, Christophe Gourlaouen and Chantal Daniel
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Photophysical properties of NIR-emitting fluorescence probes: insights from TD-DFT
Éric Brémond, Marta E. Alberto, Nino Russo, Gino Ricci, Ilaria Ciofini and Carlo Adamo
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Fundamental and overtone vibrational spectroscopy, enthalpy of hydrogen bond formation and equilibrium constant determination of the methanol–dimethylamine complex
Lin Du, Kasper Mackeprang and Henrik G. Kjaergaard
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Effects of hydrogen dissociation on the infrared emission spectra of naphthalene: theoretical modeling
Cyril Falvo, Hela Friha, Thomas Pino, Zoubeida Dhaouadi, Pascal Parneix, Florent Calvo and Philippe Bréchignac
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Generation of full dimensional potential energy surfaces for atmospherically important charge transfer tetratomic complexes: the case of the OMgOO+ radical cation
O. Yazidi and M. Hochlaf
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Annulation of 2H-Pyran onto 1-Oxa- or 1-Azacyclohexane-2,4-diones and Their Analogues via Sequential Condensation with α-Substituted Enals and 6π-Electrocyclization
Md. Imran Hossain, Elkhabiry Shaban, Taku Ikemi, Wei Peng, Hiroyuki Kawafuchi, Tsutomu Inokuchi
Bull. Chem. Soc. Jpn., Vol: 86, No: 7 , published: 01 July 2013
Хемилюминесценция при распаде эндопероксида 1,4-диметилнафталина на поверхности силикагеля в присутствии β-дикетонатных комплексов NdIII, YbIII и EuIII
Ф. Э. Сафаров, Д. В. Казаков
Изв. РАН. Сер. хим., Vol: 2013, No: 7 , published: 01 July 2013
Радикальные продукты термолиза полидифениленсульфофталида
Н. М. Шишлов, Ш. С. Ахметзянов, С. Л. Хурсан
Изв. РАН. Сер. хим., Vol: 2013, No: 7 , published: 01 July 2013
Time-Resolved Spectroscopic and Imaging Studies on Laser Ablation of Molecular Systems: From Mechanistic Study to Bio/Nano Applications
Hiroshi Masuhara
Bull. Chem. Soc. Jpn., Vol: 86, No: 7 , published: 01 July 2013
Цепные процессы в фотохимии галогенидных комплексов платины(IV) в водных растворах*
Е. М. Глебов, А. В. Коломеец, И. П. Поздняков, В. П. Гривин, В. Ф. Плюснин, Н. В. Ткаченко, Х. Лемметяйнен
Изв. РАН. Сер. хим., Vol: 2013, No: 7 , published: 01 July 2013
Фотохимия комплекса железа(III) с молочной кислотой в водных растворах
И. П. Поздняков, Фенг Ву, А. А. Мельников, В. П. Гривин, Н. М. Бажин, С. В. Чекалин, В. Ф. Плюснин
Изв. РАН. Сер. хим., Vol: 2013, No: 7 , published: 01 July 2013
Триплет-триплетное поглощение d0-металлокомплекса
Г. В. Лукова, В. П. Васильев, В. Л. Иванов, М. Я. Мельников, В. А. Смирнов, Е. Е. Мельничук
Изв. РАН. Сер. хим., Vol: 2013, No: 7 , published: 01 July 2013
Synthesis and Characterization of Oxygen/Sulfur-Bridged Incomplete Cubane-Type Clusters, [M3S4(Tpe)3]+ and [M3OS3(Tpe)3]+ (M = Mo and W), and a Mixed-Metal Cubane-Type Cluster, [Mo3PdS4Cl(Tpe)3]
Ryouichi Yoshida, Takashi Shibahara, Haruo Akashi
Bull. Chem. Soc. Jpn., Vol: 86, No: 7 , published: 01 July 2013
Microwave and submillimeter molecular transitions and their dependence on fundamental constants
Mikhail G. Kozlov, Sergei A. Levshakov
Annalen der Physik , Vol: 525, No: 7 , published: 01 July 2013
Синтез новых α-аминофосфонатов, содержащих пространственно-затрудненные фенольные фрагменты, на основе реакции 3,5-ди(трет-бутил)-4-оксо-2,5-циклогексадиенилиденметилфосфонатов с алифатическими аминами
Э. М. Гибадуллина, Т. Р. Шаехов, А. К. Бадртдинов, Ю. К. Воронина, А. Р. Бурилов
Изв. РАН. Сер. хим., Vol: 2013, No: 7 , published: 01 July 2013
PSiP-Pincer Type Palladium-Catalyzed Dehydrogenative Borylation of Alkenes and 1,3-Dienes
Naohiro Kirai, Shoichiro Iguchi, Tatsuyoshi Ito, Jun Takaya, Nobuharu Iwasawa
Bull. Chem. Soc. Jpn., Vol: 86, No: 7 , published: 01 July 2013
Ultrafast excited state dynamics of trans-[4-(4′-dimethylaminostyryl)] pyridine N-oxide in solution: femtosecond fluorescence up-conversion and theoretical calculations
Anna Szemik-Hojniak, Irena Deperasińska, Krzysztof Oberda, Yuval Erez, Dan Huppert, Yakov P. Nizhnik
Phys. Chem. Chem. Phys., Vol: 15, No: 24 , published: 28 June 2013
Theoretical prediction of new noble-gas molecules FNgBNR (Ng = Ar, Kr, and Xe; R = H, CH3, CCH, CHCH2, F, and OH)
Jien-Lian Chen, Chang-Yu Yang, Hsiao-Jing Lin, Wei-Ping Hu
Phys. Chem. Chem. Phys., Vol: 15, No: 24 , published: 28 June 2013
Size-dependent Auger spectra and two-hole Coulomb interaction of small supported Cu-clusters
S. Peters, S. Peredkov, M. Neeb, W. Eberhardt,  M. Al-Hada
Phys. Chem. Chem. Phys., Vol: 15, No: 24 , published: 28 June 2013
Controlling the π-Stacking Behavior of Pyrene Derivatives: Influence of H-Bonding and Steric Effects in Different States of Aggregation
Andreas T. Haedler, Holger Misslitz, Christian Buehlmeyer, Rodrigo Q. Albuquerque, Anna Köhler,  Hans-Werner Schmidt
ChemPhysChem., Vol: 14, No: 9 , published: 24 June 2013
The Distorted Tropane of Scopoline
Patricia Écija, Emilio J. Cocinero, Alberto Lesarri, Francisco J. Basterretxea, José A. Fernández,  Fernando Castaño
ChemPhysChem., Vol: 14, No: 9 , published: 24 June 2013
Fluorine Substitution Effects on Flexibility and Tunneling Pathways: The Rotational Spectrum of 2-Fluorobenzylamine
Camilla Calabrese, Assimo Maris, Luca Evangelisti, Walther Caminati, Sonia Melandri
ChemPhysChem., Vol: 14, No: 9 , published: 24 June 2013
Experimental observation of C60 LUMO splitting in the C602− dianions due to the Jahn–Teller effect. Comparison with the C60˙ radical anions
Dmitri V. Konarev, Alexey V. Kuzmin, Sergey V. Simonov, Evgeniya I. Yudanova, Salavat S. Khasanov, Gunzi Saito and Rimma N. Lyubovskaya
Phys. Chem. Chem. Phys., Vol: 15, No: 23 , published: 21 June 2013
Mechanisms behind sulfur promoted oxidation of methane
Djamela Bounechada, Sheedeh Fouladvand, Lisa Kylhammar, Torben Pingel, Eva Olsson, Magnus Skoglundh, Johan Gustafson, Marco Di Michiel, Mark A. Newton and Per-Anders Carlsson
Phys. Chem. Chem. Phys., Vol: 15, No: 22 , published: 14 June 2013
Local electronic structure of aqueous zinc acetate: oxygen K-edge X-ray absorption and emission spectroscopy on micro-jets
Ronny Golnak, Kaan Atak, Edlira Suljoti, Kai F. Hodeck, Kathrin M. Lange, Mikhail A. Soldatov, Nicholas Engel, Emad F. Aziz
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
The electronic structure of pyracene: a spectroscopic and computational study
Johannes Auerswald, Bernd Engels, Ingo Fischer, Thiemo Gerbich, Jörg Herterich, Anke Krueger, Melanie Lang, Hans-Christian Schmitt, Christof Schon, Christof Walter
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
Intrinsic fluorescence properties of rhodamine cations in gas-phase: triplet lifetimes and dispersed fluorescence spectra
Jean-François Greisch, Michael E. Harding, Mattias Kordel, Wim Klopper, Manfred M. Kappes, Detlef Schooss
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
The chemical sensitivity of X-ray spectroscopy: high energy resolution XANES versus X-ray emission spectroscopy of substituted ferrocenes
Andrew J. Atkins, Matthias Bauer, Christoph R. Jacob
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
Structure–property relationship of extended π-conjugation of ancillary ligands with and without an electron donor of heteroleptic Ru(II) bipyridyl complexes for high efficiency dye-sensitized solar cells
Maqbool Hussain, Ahmed El-Shafei, Ashraful Islam, Liyuan Han  
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
Density functional theoretical investigation on structure, optical response and hydrogen adsorption properties of B9/metal–B9 clusters
Swastika Banerjee, Ganga Periyasamy, Swapan K. Pati
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
Electronic Structures and Energies of Fe2(CO)n (n=0–9)
Qiang Li, Yan-Ni Li, Tao Wang, Sheng-Guang Wang, Chun-Fang Huo, Yong-Wang Li, Jianguo Wang, Haijun Jiao
ChemPhysChem., Vol: 14, No: 8 , published: 03 June 2013
Mechanism and Nature of the Different Viscosity Sensitivities of Hemicyanine Dyes with Various Heterocycles
Jianfang Cao, Chong Hu, Fei Liu, Wen Sun, Jiangli Fan, Fengling Song, Shiguo Sun,  Xiaojun Peng
ChemPhysChem., Vol: 14, No: 8 , published: 03 June 2013
Harnessing Electron Transfer from the Perchlorotriphenylmethide Anion to Y@C82(C2v) to Engineer an Endometallofullerene-Based Salt
Ivan E. Kareev, Elena Laukhina, Vyacheslav P. Bubnov, Vyacheslav M. Martynenko, Vega Lloveras, José Vidal-Gancedo, Marta Mas-Torrent,  Jaume Veciana, Concepció Rovira
ChemPhysChem., Vol: 14, No: 8 , published: 03 June 2013
Electronic Structures and Energies of Fe2(CO)n (n=0–9)
Qiang Li, Yan-Ni Li, Tao Wang, Sheng-Guang Wang, Chun-Fang Huo, Yong-Wang Li, Jianguo Wang, Haijun Jiao
ChemPhysChem., Vol: 14, No: 8 , published: 03 June 2013
Construction of a Synchrotron-Radiation Vacuum-Ultraviolet Circular-Dichroism Spectrophotometer and Its Application to the Structural Analysis of Biomolecules
Koichi Matsuo, Kunihiko Gekko
Bull. Chem. Soc. Jpn., Vol: 86, No: 6 , published: 01 June 2013
A Redox-Active, Amphoteric Pyrogallolaldehyde Derivative: Electrochemical Characterization and Schiff Base Formation for Constructing Multifunctional Salphen Complexes
Hajime Shingai, Hirohiko Houjou, Isao Yoshikawa, Koji Araki
Bull. Chem. Soc. Jpn., Vol: 86, No: 6 , published: 01 June 2013
Реакция азидов органических кислот с вторичными аминами в присутствии ацетата меди(II)
А. В. Будруев, Д. Ю. Синягина
Изв. РАН. Сер. хим., Vol: 2013, No: 6 , published: 01 June 2013
Расщепление сульфофталидного цикла и образование флуоренильных cтруктур при термолизе полидифениленсульфофталида
Н. М. Шишлов, С. Л. Хурсан, Ш. С. Ахметзянов
Изв. РАН. Сер. хим., Vol: 2013, No: 6 , published: 01 June 2013
Влияние гистидина на сенсибилизированную генерацию синглетного кислорода в комплексах с хлорофиллом
Г. И. Кобзев, А. В. Лобанов, К. С. Давыдов
Изв. РАН. Сер. хим., Vol: 2013, No: 6 , published: 01 June 2013
A New Facile Two-Step Synthetic Procedure of 1,1′-Diaminoferrocene
Mohammad A. Abdulmalic, Tobias Rüffer
Bull. Chem. Soc. Jpn., Vol: 86, No: 6 , published: 01 June 2013
Синтез и антиоксидантная активность 5-гидроксикумаранов, 6-гидроксихроманов и серосодержащих производных на их основе
С. Е. Ягунов, С. В. Хольшин, Н. В. Кандалинцева, А. Е. Просенко
Изв. РАН. Сер. хим., Vol: 2013, No: 6 , published: 01 June 2013
Полидентатные лиганды на основе клозо-декаборатного аниона для синтеза комплексов гадолиния(III)
С. С. Акимов, Е. Ю. Матвеев, А. С. Кубасов, Г. А. Разгоняева, К. Ю. Жижин, Н. Т. Кузнецова
Изв. РАН. Сер. хим., Vol: 2013, No: 6 , published: 01 June 2013
The NBO pattern in luminescent chromophores: unravelling excited-state features using TD-DFT
Boris Le Guennic, Siwar Chibani, Azzam Charaf-Eddin, Julien Massue, Raymond Ziessel, Gilles Ulrich, Denis Jacquemin
Phys. Chem. Chem. Phys., Vol: 15, No: 20 , published: 28 May 2013
Eosin Y-sensitized graphitic carbon nitride fabricated by heating urea for visible light photocatalytic hydrogen evolution: the effect of the pyrolysis temperature of urea
Junying Xu, Yuexiang Li, Shaoqin Peng, Gongxuan Lu,  Shuben Li
Phys. Chem. Chem. Phys., Vol: 15, No: 20 , published: 28 May 2013
Two-photon absorption spectra of a near-infrared 2-azaazulene polymethine dye: solvation and ground-state symmetry breaking
Honghua Hu, Olga V. Przhonska, Francesca Terenziani, Anna Painelli, Dmitry Fishman, Trenton R. Ensley, Matthew Reichert, Scott Webster, Julia L. Bricks, Alexey D. Kachkovski, David J. Hagan, Eric W. Van Stryland
Phys. Chem. Chem. Phys., Vol: 15, No: 20 , published: 28 May 2013
Structure and energetics of gas phase halogen-bonding in mono-, bi-, and tri-dentate anion receptors as studied by BIRD
Elizabeth A. L. Gillis, Maria Demireva, Mohammed G. Sarwar, Michael G. Chudzinski, Mark S. Taylor, Evan R. Williams, Travis D. Fridgen
Phys. Chem. Chem. Phys., Vol: 15, No: 20 , published: 28 May 2013
On structure and bonding of lanthanoid trifluorides LnF3 (Ln = La to Lu)
Wei Xu, Wen-Xin Ji, Yi-Xiang Qiu, W. H. Eugen Schwarz, Shu-Guang Wang
Phys. Chem. Chem. Phys., Vol: 15, No: 20 , published: 28 May 2013
The lifetime and efficiency of triplet–triplet fluorescence from the excited state of a TMM biradical determined using transient emission spectroscopy by two-color two-laser flash photolysis
Yasunori Matsui, Daisuke Kawahara, Eisuke Ohta, Hiroshi Ikeda
Phys. Chem. Chem. Phys., Vol: 15, No: 19 , published: 21 May 2013
Low-lying excited-states of 5-benzyluracil
Marco Micciarelli, Carlo Altucci, Bartolomeo Della Ventura, Raffaele Velotta, Valer Toşa, Adán B. Gónzalez Pérez, Martin Pérez Rodríguez, Ángel R. de Lera, Attila Bende
Phys. Chem. Chem. Phys., Vol: 15, No: 19 , published: 21 May 2013
First principles calculations of the structure and V L-edge X-ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin–orbit coupled configuration interaction approaches
Dimitrios Maganas, Michael Roemelt, Michael Hävecker, Annette Trunschke, Axel Knop-Gericke, Robert Schlögl, Frank Neese
Phys. Chem. Chem. Phys., Vol: 15, No: 19 , published: 21 May 2013
Ligand strain and conformations in a family of Fe(II) spin crossover hexadentate complexes involving the 2-pyridylmethyl-amino moiety: DFT modelling
Galina S. Matouzenko, Serguei A. Borshch, Volker Schünemann, Juliusz A. Wolny
Phys. Chem. Chem. Phys., Vol: 15, No: 19 , published: 21 May 2013
Benchmarks for 0–0 transitions of aromatic organic molecules: DFT/B3LYP, ADC(2), CC2, SOS-CC2 and SCS-CC2 compared to high-resolution gas-phase data
Nina O. C. Winter, Nora K. Graf, Samuel Leutwyler, Christof Hättig
Phys. Chem. Chem. Phys., Vol: 15, No: 18 , published: 14 May 2013
On the role of singlet versus triplet excited states in the uncaging of ortho-nitrobenzyl caged compounds
Jan-Michael Mewes, Andreas Dreuw
Phys. Chem. Chem. Phys., Vol: 15, No: 18 , published: 14 May 2013
Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations
Matija Zlatar, Maja Gruden-Pavlović, Mireia Güell, Marcel Swart
Phys. Chem. Chem. Phys., Vol: 15, No: 18 , published: 14 May 2013
Potential energy surfaces for ground and excited electronic states of the CF3I molecule and their relevance to its A-band photodissociation
Aleksey B. Alekseyev, Heinz-Peter Liebermann, Robert J. Buenker
Phys. Chem. Chem. Phys., Vol: 15, No: 18 , published: 14 May 2013
High-resolution photoassociation spectroscopy of the 6Li2 13Σg+ state
Mariusz Semczuk, Xuan Li, Will Gunton, Magnus Haw, Nikesh S. Dattani, Julien Witz, Arthur K. Mills, David J. Jones, and Kirk W. Madison
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 5 , published: 09 May 2013
The Preparation and Polarizing Property Studying in Modified Direct Gray D-Cu2+Metal Complexes
FU Hua, HAN Ai-xia
Imag. Sci. and Photochem., Vol: 31, No: 3 , published: 01 May 2013
Synthesis and Spectroscopic Properties of 1,4-di (thiophen-2-yl) phthalazines
XU Wei, XUE Min-zhao, SU Yue-zeng, ZHANG Fan
Imag. Sci. and Photochem., Vol: 31, No: 3 , published: 01 May 2013
Квантово-химическое моделирование взаимодействия мембранного флуоресцентного зонда 4-диметиламинохалкона с гидроксильными группами окружения
Р. А. Сакович, Б. М. Поляк, С. К. Гуларян, А. Н. Романов, В. Ю. Светличный, О. М. Саркисов
Изв. РАН. Сер. хим., Vol: 2013, No: 5 , published: 01 May 2013
C–F Bond Breaking through Aromatic Nucleophilic Substitution with a Hydroxo Ligand Mediated via Water Bifunctional Activation
Pavel A. Dub, Hui Wang, Asuka Matsunami, Ilya D. Gridnev, Shigeki Kuwata, Takao Ikariya
Bull. Chem. Soc. Jpn., Vol: 86, No: 5 , published: 01 May 2013
Syntheses, Crystal Structures, and Photophysical Properties of Platinum(II) Complexes Containing a Disulfanenitrile Ligand
Hiroya Honda, Takayoshi Fujii, Junpei Kuwabara, Takaki Kanbara
Bull. Chem. Soc. Jpn., Vol: 86, No: 5 , published: 01 May 2013
Preparation of Diastereomerically Pure and Mixed (S)-PhGly/BIPHEP/Ru(II) Complexes and Their Catalytic Behavior with Li2CO3 in Asymmetric Cyanosilylation of Benzaldehyde
Nobuhito Kurono, Taiki Katayama, Takeshi Ohkuma
Bull. Chem. Soc. Jpn., Vol: 86, No: 5 , published: 01 May 2013
Reaction of Binuclear Ruthenium–Fulvalene Intermediates Intramolecularly Bridged by Alkyl Disulfides
Hiroki Yasuhara, Kazuki Koga, Satoru Nakashima
Bull. Chem. Soc. Jpn., Vol: 86, No: 5 , published: 01 May 2013
Probing the valence orbitals of transition metal–silicon diatomic anions: ZrSi, NbSi, MoSi, PdSi and WSi
K. Don Dasitha Gunaratne, Cuneyt Berkdemir, C. L. Harmon, A. W. Castleman
Phys. Chem. Chem. Phys., Vol: 15, No: 16 , published: 28 April 2013
Atmospheric chemistry of CF3O2: a theoretical study on mechanisms and pathways of the CF3O2 + IO reaction
Hongwei Li, Yizhen Tang, Rongshun Wang
Phys. Chem. Chem. Phys., Vol: 15, No: 16 , published: 28 April 2013
Controlling the electron-deficiency of self-assembling pyrazine-acenes: a collaborative experimental and theoretical investigation
Lacie V. Brownell, Kyoungmi Jang, Kathleen A. Robins, Ich C. Tran, Clemens Heske, Dong-Chan Lee
Phys. Chem. Chem. Phys., Vol: 15, No: 16 , published: 28 April 2013
CCSD(T) level interaction energy for halogen bond between pyridine and substituted iodobenzenes: origin and additivity of substituent effects
Seiji Tsuzuki, Tadafumi Uchimaru, Akihiro Wakisaka, Taizo Ono, Takaaki Sonoda
Phys. Chem. Chem. Phys., Vol: 15, No: 16 , published: 28 April 2013
Computational investigation of the photoinduced homolytic dissociation of water in the pyridine–water complex
Xiaojun Liu, Andrzej L. Sobolewski, Raffaele Borrelli, Wolfgang Domcke
Phys. Chem. Chem. Phys., Vol: 15, No: 16 , published: 28 April 2013
Gas-phase structures and thermochemistry of neutral histidine and its conjugated acid and base
Vanessa Riffet, Guy Bouchoux
Phys. Chem. Chem. Phys., Vol: 15, No: 16 , published: 28 April 2013
On the Photoabsorption by Permanganate Ions in Vacuo and the Role of a Single Water Molecule. New Experimental Benchmarks for Electronic Structure Theory
Jørgen Houmøller, Sydney H. Kaufman,  Kristian Støchkel, Lokesh C. Tribedi,  Steen Brøndsted Nielsen, J. Mathias Weber
ChemPhysChem., Vol: 14, No: 6 , published: 15 April 2013
Fluorescence Quenching over Short Range in a Donor-DNA-Acceptor System
Thomas Ehrenschwender, Yu Liang, Andreas-Neil Unterreiner, Hans-Achim Wagenknecht, Thomas J. A. Wolf
ChemPhysChem., Vol: 14, No: 6 , published: 15 April 2013
Energies and Spin States of FeS0/−, FeS20/−, Fe2S20/−, Fe3S40/−, and Fe4S40/− Clusters
Yan-Ni Li, Shengguang Wang, Tao Wang, Rui Gao,  Chun-Yu Geng, Yong-Wang Li,  Jianguo Wang, Haijun Jiao
ChemPhysChem., Vol: 14, No: 6 , published: 15 April 2013
Domain-Averaged Exchange-Correlation Energies as a Physical Underpinning for Chemical Graphs
M. García-Revilla, E. Francisco, Paul L. A. Popelier, Angel Martín Pendás
ChemPhysChem., Vol: 14, No: 6 , published: 15 April 2013
Molecular Switching Behavior in Isosteric DNA Base Pairs
A. K. Jissy, Sukanya Konar, Ayan Datta
ChemPhysChem., Vol: 14, No: 6 , published: 15 April 2013
Efficient site-specific low-energy electron production via interatomic Coulombic decay following resonant Auger decay in argon dimers
M. Kimura, H. Fukuzawa, K. Sakai, S. Mondal, E. Kukk, Y. Kono, S. Nagaoka, Y. Tamenori, N. Saito, and K. Ueda
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 4 , published: 15 April 2013
Revised conformational assignments and conformational evolution of tyrosine by laser desorption supersonic jet laser spectroscopy
Yoko Shimozono, Kohei Yamada, Shun-ichi Ishiuchi, Koichi Tsukiyama, Masaaki Fujii
Phys. Chem. Chem. Phys., Vol: 15, No: 14 , published: 14 April 2013
Structures and ionization energies of small lithium doped germanium clusters
Jorg De Haeck, Truong Ba Tai, Soumen Bhattacharyya, Hai Thuy Le, Ewald Janssens, Minh Tho Nguyen,  Peter Lievens
Phys. Chem. Chem. Phys., Vol: 15, No: 14 , published: 14 April 2013
Resonance enhanced multiphoton ionization spectroscopy of NHD2via the [B with combining tilde]1E′′-state
Chung-Hsin Yang, Gautam Sarma, Ashim Kumar Saha, David H. Parker, Colin M. Western
Phys. Chem. Chem. Phys., Vol: 15, No: 17 , published: 07 April 2013
Do inverse dithienylethenes behave as normal ones? A joint spectroscopic and theoretical investigation
Stéphane Aloïse, Michel Sliwa, Guy Buntinx, Stéphanie Delbaere, Aurélie Perrier, François Maurel, Denis Jacquemin, Michinori Takeshita
Phys. Chem. Chem. Phys., Vol: 15, No: 17 , published: 07 April 2013
Tuning the electronic and photophysical properties of heteroleptic iridium(III) phosphorescent emitters through ancillary ligand substitution: a theoretical perspective
Huifang Li, Paul Winget, Chad Risko, John S. Sears, Jean-Luc Brédas
Phys. Chem. Chem. Phys., Vol: 15, No: 17 , published: 07 April 2013
Reducing the spin–spin interaction of stable carbon radicals
Uri Green, Zeev Aizenshtat, Sharon Ruthstein, Haim Cohen
Phys. Chem. Chem. Phys., Vol: 15, No: 17 , published: 07 April 2013
Impact of the Chirality and Curvature of Carbon Nanostructures on Their Interaction with Aromatics and Amino Acids
Deivasigamani Umadevi, G. Narahari Sastry
ChemPhysChem., Vol: 14, No: 11 , published: 05 April 2013
Structure and Stability of (NG)nCN3Be3+ Clusters and Comparison with (NG)BeY0/+
Sudip Pan, Said Jalife, R. Mahesh Kumar, Venkatesan Subramanian, Gabriel Merino, Pratim K. Chattaraj
ChemPhysChem., Vol: 14, No: 11 , published: 05 April 2013
Probing the γ-Turn in a Short Proline Dipeptide Chain
Carlos Cabezas, Marcelino Varela, José L. Alonso
ChemPhysChem., Vol: 14, No: 11 , published: 05 April 2013
The Intermolecular S[BOND]H⋅⋅⋅Y (Y=S,O) Hydrogen Bond in the H2S Dimer and the H2S–MeOH Complex
Aditi Bhattacherjee, Yoshiyuki Matsuda, Asuka Fujii, Sanjay Wategaonkar
ChemPhysChem., Vol: 14, No: 5 , published: 02 April 2013
UV/Vis Spectra of Subporphyrazines and Subphthalocyanines with Aluminum and Gallium: A Time-Dependent DFT Study
M. Merced Montero-Campillo, Al Mokhtar Lamsabhi, Otilia Mó, Manuel Yáñez
ChemPhysChem., Vol: 14, No: 5 , published: 02 April 2013
Spiroconjugated Intramolecular Charge-Transfer Emission in Non-Typical Spiroconjugated Molecules: The Effect of Molecular Structure upon the Excited-State Configuration
Linna Zhu, Cheng Zhong, Cui Liu, Zhongyin Liu, Jingui Qin, Chuluo Yang
ChemPhysChem., Vol: 14, No: 5 , published: 02 April 2013
Конъюгаты фталоцианинов с углеводами: синтез и особенности агрегации в водных растворах
О. И. Койфман, М. Ханак, С. А. Сырбу, А. В. Любимцева
Изв. РАН. Сер. хим., Vol: 2013, No: 4 , published: 01 April 2013
Молекулярная фотоника комплексов включения кукурбит[7]урила с иодидом 3,3´-диэтилтиазолинокарбоцианина
Л. С. Атабекян, Н. А. Кулемин, В. Г. Авакян, А. К. Чибисов
Изв. РАН. Сер. хим., Vol: 2013, No: 4 , published: 01 April 2013
Первое оптически активное Р-алкоксипроизводное палладированного фосфацимантрена: синтез, структура и хироптические свойства
А. Ф. Смольяков, А. Г. Гинзбург, В. В. Башилов, Ф. М. Долгушин, П. В. Петровский, К. К. Бабиевский, В. И. Соколов
Изв. РАН. Сер. хим., Vol: 2013, No: 4 , published: 01 April 2013
Fluorescent Peptides Labeled with Environment-Sensitive 7-Aminocoumarins and Their Interactions with Lipid Bilayer Membranes and Living Cells
Tokiko Murase, Toshitada Yoshihara, Keiichi Yamada, Seiji Tobita
Bull. Chem. Soc. Jpn., Vol: 86, No: 4 , published: 01 April 2013
Theoretical Study on the Excited Electronic States of Coronene and Its π-Extended Molecules Using the Symmetry-Adapted Cluster-Configuration Interaction Method
Ryoichi Fukuda, Masahiro Ehara
Bull. Chem. Soc. Jpn., Vol: 86, No: 4 , published: 01 April 2013
Правило стыка трёх граничных линий на фазовых диаграммах
В.Е. Антонов
Докл. РАН, Vol: 448, No: 4 , published: 01 April 2013
Theoretical Study of the Substituent and Solvent Effects on the Reaction Enthalpies of the Antioxidant Mechanisms of Tyrosol Derivatives
Meysam Najafi, Mohammad Najafi, Houshang Najafi
Bull. Chem. Soc. Jpn., Vol: 86, No: 4 , published: 01 April 2013
8-R-5,7-Динитрохинолины в реакциях [3+2]-циклоприсоединения с N-метилазометинилидом
М. А. Бастраков, А. И. Леонов, А. М. Старосотников, И. В. Федянин, С. А. Шевелев
Изв. РАН. Сер. хим., Vol: 2013, No: 4 , published: 01 April 2013
Генерация и метатезис азометиниминов в реакции 6-арил-1,5-диазабицикло[3.1.0]гексанов с арил(гетарил)метилиденмалононитрилами
М. И. Плещев, В. Ю. Петухова , В. В. Кузнецов, Д. В. Хакимов, Т. С. Пивина, Ю. В. Нелюбина, Н. Н. Махова
Изв. РАН. Сер. хим., Vol: 2013, No: 4 , published: 01 April 2013
Синтез и координационные свойства нового предорганизованного лиганда на трифенилфосфиноксидной платформе
И. Ю. Кудрявцев, Т. В. Баулина, М. П. Пасечник, Р. Р. Айсин, С. В. Матвеев, П. В. Петровский , Э. Е. Нифантьев
Изв. РАН. Сер. хим., Vol: 2013, No: 4 , published: 01 April 2013
Образование каркасных фосфоранов со связями Р—С и P—N в реакциях 2-(2-бензилиденамино)фенокси-4-трет-бутилбензо1,3,2-диоксафосфола с этиловыми эфирами мезоксалевой и трифторпировиноградной кислот
М. Н. Димухаметов, В. Ф. Миронов, Д. Б. Криволапов, Е. В. Миронова, Р. З. Мусин
Изв. РАН. Сер. хим., Vol: 2013, No: 4 , published: 01 April 2013
Академик Д.В. Скобельцын и ФИАН
Г.А. Месяц
Докл. РАН, Vol: 448, No: 4 , published: 01 April 2013
The insertion of gas molecules into polyhedral oligomeric silsesquioxane (POSS) cages: understanding the energy of insertion using quantum chemical calculations
A. A. Skelton and J. R. Fried
Phys. Chem. Chem. Phys., Vol: 15, No: 12 , published: 28 March 2013
Noncovalent interactions in halogenated ionic liquids: theoretical study and crystallographic implications
Haiying Li, Yunxiang Lu, Weihong Wu, Yingtao Liu, Changjun Peng, Honglai Liu and Weiliang Zhu
Phys. Chem. Chem. Phys., Vol: 15, No: 12 , published: 28 March 2013
The C–IX halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation
Hui Wang, Xiao Ran Zhao and Wei Jun Jin
Phys. Chem. Chem. Phys., Vol: 15, No: 12 , published: 28 March 2013
Electron attachment to the dipeptide dialanine: influence of methylation on site selective dissociation reactions
Benjamin Puschnigg, Stefan E. Huber, Michael Probst, Katrin Tanzer, Violaine Vizcaino, Filipe Ferreira da Silva, Paul Scheier, Paulo Limão-Vieira, Stephan Denifl
Phys. Chem. Chem. Phys., Vol: 15, No: 11 , published: 21 March 2013
Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system
Xin-Yu Li, Yong-Gang Sun, Peng Huo, Ming-Yan Shao, Shu-Fang Ji, Qin-Yu Zhu, Jie Dai
Phys. Chem. Chem. Phys., Vol: 15, No: 11 , published: 21 March 2013
Towards accurate estimates of the spin-state energetics of spin-crossover complexes within density functional theory: a comparative case study of cobalt(II) complexes
Alfredo Vargas, Itana Krivokapic, Andreas Hauser, Latévi Max Lawson Daku
Phys. Chem. Chem. Phys., Vol: 15, No: 11 , published: 21 March 2013
Towards a Spectroscopic and Theoretical Identification of the Isolated Building Blocks of the Benzene–Acetylene Cocrystal
Markus Böning, Benjamin Stuhlmann, Gernot Engler, Matthias Busker, Thomas Häber, Adem Tekin, Georg Jansen, Karl Kleinermanns
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
Laser Spectroscopic Study of Cold Host–Guest Complexes of Crown Ethers in the Gas Phase
Yoshiya Inokuchi,  Ryoji Kusaka,  Takayuki Ebata,  Oleg V. Boyarkin,  Thomas R. Rizzo
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
Threshold Collision-Induced Dissociation of Hydrated Magnesium: Experimental and Theoretical Investigation of the Binding Energies for Mg2+(H2O)x Complexes (x=2–10)
Damon R. Carl, Peter B. Armentrout
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
Benchmarking the Lithium–Thiophene Complex
Michael E. Harding, Wim Klopper
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
Photoionization of Yb(NH3)n Complexes
Matthew J. Guttridge, Sadna H. Don, Andrew M. Ellis
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
IR Spectroscopy of the 4-Aminobenzonitrile–Ar Cluster in the S0, S1 Neutral and D0 Cationic States
Takashi Nakamura, Mitsuhiko Miyazaki, Shun-ichi Ishiuchi, Martin Weiler, Matthias Schmies, Otto Dopfer,  Masaaki Fujii
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
Efficient energy transfer from InGaN quantum wells to Ag nanoparticles
G. W. Shu, C. H. Chiu, L. T. Huang, T. N. Lin, C. C. Yang, J. S. Wang, C. T. Yuan, J. L. Shen, H. C. Kuo, C. A. J. Lin, W. H. Chang, H. H. Wang, H. I. Yeh, W. H. Chan, W. C. Fan, W. C. Chou
Phys. Chem. Chem. Phys., Vol: 15, No: 10 , published: 14 March 2013
Photoconductive properties of a π-conjugated α-cyclodextrin containing [2]rotaxane and its corresponding molecular dumbbell
Ioanna Deligkiozi, Raffaello Papadakis, Athanase Tsolomitis
Phys. Chem. Chem. Phys., Vol: 15, No: 10 , published: 14 March 2013
Application of MCD spectroscopy and TD-DFT to endohedral metallofullerenes for characterization of their electronic transitions
Michio Yamada, Zdenek Slanina, Naomi Mizorogi, Atsuya Muranaka, Yutaka Maeda, Shigeru Nagase, Takeshi Akasaka,Nagao Kobayashi
Phys. Chem. Chem. Phys., Vol: 15, No: 10 , published: 14 March 2013
Experimental observation of the lowest levels in the photoassociation spectroscopy of the 0g purely-long-range state of Cs2
Yichi Zhang, Jie Ma, Jizhou Wu, Lirong Wang, Liantuan Xiao, and Suotang Jia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 3 , published: 12 March 2013
Capturing the elusive aromaticity of bicalicene
W. P. Oziminski, M. Palusiak, J. Dominikowska, T. M. Krygowski, R. W. A. Havenith, C. M. Gibson, P. W. Fowler
Phys. Chem. Chem. Phys., Vol: 15, No: 9 , published: 07 March 2013
Probing the picosecond kinetics of the photosystem II core complex in vivo
Lijin Tian, Shazia Farooq, Herbert van Amerongen
Phys. Chem. Chem. Phys., Vol: 15, No: 9 , published: 07 March 2013
New Synthetic Host Pillararenes: Their Synthesis and Application to Supramolecular Materials
Tomoki Ogoshi, Tada-aki Yamagishi
Bull. Chem. Soc. Jpn., Vol: 86, No: 3 , published: 01 March 2013
Observation of a Hydrogen-Bonded 3D Structure of Crystalline Glycerol
Takahiro Kusukawa, Genki Niwa, Takato Sasaki, Ryosuke Oosawa, Wataru Himeno, Masahiro Kato
Bull. Chem. Soc. Jpn., Vol: 86, No: 3 , published: 01 March 2013
Acridine – a Promising Fluorescence Probe of Non-Covalent Molecular Interactions
Rozhkova Yulia, Gurinov Andrey A.,  Tolstoy Peter M., Denisov Gleb S.,  Shenderovich Ilya G.,  Korotkov Valentin Ivanovich
Z. phys. Chem., Vol: 227, No: 6-7 , published: 01 March 2013
Optical spectroscopy of tungsten carbide for uncertainty analysis in electron electric-dipole-moment search
J. Lee, J. Chen, L. V. Skripnikov, A. N. Petrov, A. V. Titov, N. S. Mosyagin, and A. E. Leanhardt
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 2 , published: 28 February 2013
Polymeric ion sensors with multiple detection modes achieved by a new type of click chemistry reaction
Tsuyoshi Michinobu, Yongrong Li, Tsuyoshi Hyakutake
Phys. Chem. Chem. Phys., Vol: 15, No: 8 , published: 28 February 2013
The solvent effect on the luminescence of silver nanoclusters
Yang Li, Xumei Wang, Shuping Xu, Weiqing Xu
Phys. Chem. Chem. Phys., Vol: 15, No: 8 , published: 28 February 2013
Jahn–Teller instability in cationic boron and carbon buckyballs B80+ and C60+: a comparative study
Jules Tshishimbi Muya, Harry Ramanantoanina, Claude Daul, Minh Tho Nguyen, G. Gopakumar, Arnout Ceulemans
Phys. Chem. Chem. Phys., Vol: 15, No: 8 , published: 28 February 2013
Electronic and EPR spectra of the species involved in [W10O32]4− photocatalysis. A relativistic DFT investigation
Davide Ravelli, Daniele Dondi, Maurizio Fagnoni, Angelo Albini, Alessandro Bagno
Phys. Chem. Chem. Phys., Vol: 15, No: 8 , published: 28 February 2013
Unravelling molecular mechanisms in the fluorescence spectra of doxorubicin in aqueous solution by femtosecond fluorescence spectroscopy
Pascale Changenet-Barret, Thomas Gustavsson, Dimitra Markovitsi, Ilse Manet, Sandra Monti
Phys. Chem. Chem. Phys., Vol: 15, No: 8 , published: 28 February 2013
Theoretical investigations of ferrocene/ferrocenium solvation in imidazolium-based room-temperature ionic liquids
Yang Yang, Lei Yu
Phys. Chem. Chem. Phys., Vol: 15, No: 8 , published: 28 February 2013
Ionic Liquid-Controlled Excited-State Behavior of Naphthols
Vinod Kumar, Siddharth Pandey
ChemPhysChem., Vol: 14, No: 3 , published: 25 February 2013
Quantum chemical characterization and design of host materials based on phosphine oxide-substituted (triphenylamine) fluorene for (deep) blue phosphors in OLEDs
Jie Wu, Shui-Xing Wu, Yong Wu, Yu-He Kan, Yun Geng, Zhong-Min Su
Phys. Chem. Chem. Phys., Vol: 15, No: 7 , published: 21 February 2013
Excimer formation of 6-(1-pyrenyl)hexyl-11(1-pyrenyl)undecanoate within an ionic liquid and cosolvent-modified ionic liquid mixture
Rewa Rai, Siddharth Pandey
Phys. Chem. Chem. Phys., Vol: 15, No: 7 , published: 21 February 2013
Tuning the photodriven electron transport within the columnar perylenediimide stacks by changing the π-extent of the electron donors
Mustafa Supur, Shunichi Fukuzumi
Phys. Chem. Chem. Phys., Vol: 15, No: 7 , published: 21 February 2013
The alanine model dipeptide Ac-Ala-NH2 exists as a mixture of Ceq7 and C5 conformers
Carlos Cabezas, Marcelino Varela, Vanessa Cortijo, Ana I. Jiménez, Isabel Peña, Adam M. Daly, Juan C. López, Carlos Cativiela, José L. Alonso
Phys. Chem. Chem. Phys., Vol: 15, No: 7 , published: 21 February 2013
The natural orbital functional theory of the bonding in Cr2, Mo2 and W2
F. Ruipérez, M. Piris, J. M. Ugalde, J. M. Matxain
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
A red-emissive aminobenzopyrano-xanthene dye: elucidation of fluorescence emission mechanisms in solution and in the aggregate state
Shinichiro Kamino, Atsuya Muranaka, Miho Murakami, Asana Tatsumi, Noriyuki Nagaoka, Yoshinao Shirasaki, Keiko Watanabe, Kengo Yoshida, Jun Horigome, Seiji Komeda, Masanobu Uchiyama, Shuichi Enomoto
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
A RASSCF study of free base, magnesium and zinc porphyrins: accuracy versus efficiency
Andrew Kerridge
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
Can hydrate form in carbon dioxide from dissolved water?
Bjørn Kvamme, Tatiana Kuznetsova, Pilvi-Helina Kivelæ, Jordan Bauman
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
Towards an understanding of the vibrational spectrum of the neutral Au7 cluster
Luis A. Mancera, David M. Benoit
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
(4,4′)-Bipyridine in vacuo and in solvents: a quantum chemical study of a prototypical floppy molecule from a molecular transport perspective
Ioan Bâldea, Horst Köppel, Wolfgang Wenzel
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
Spectroscopic studies of the (4)1Σ+ state of RbCs and modeling of the optical cycle for ultracold X 1Σ+(v=0,J=0) molecule production
V. Zuters, O. Docenko, M. Tamanis, R. Ferber, V. V. Meshkov, E. A. Pazyuk, and A. V. Stolyarov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 2 , published: 13 February 2013
Electrochemical-surface enhanced Raman spectroscopy (E-SERS) of uric acid: a potential rapid diagnostic method for early preeclampsia detection
Barbara L. Goodall, Ashley M. Robinson, Christa L. Brosseau
Phys. Chem. Chem. Phys., Vol: 15, No: 5 , published: 07 February 2013
A time-resolved spectroscopy and density functional theory study of the solvent dependent photochemistry of fenofibric acid
Ming-De Li, Jiani Ma, Tao Su, Mingyue Liu, David Lee Phillips
Phys. Chem. Chem. Phys., Vol: 15, No: 5 , published: 07 February 2013
Naphthalene bisimides asymmetrically and symmetrically N-substituted with triarylamine – comparison of spectroscopic, electrochemical, electronic and self-assembly properties
Renata Rybakiewicz, Joanna Zapala, David Djurado, Robert Nowakowski, Petr Toman, Jiri Pfleger, Jean-Marie Verilhac, Malgorzata Zagorska, Adam Pron
Phys. Chem. Chem. Phys., Vol: 15, No: 5 , published: 07 February 2013
Evidence for the carbon–nitrogen complex in ZnO nanostructures with very high nitrogen doping
Luwei Sun, Haiping He, Liang Hu, Zhizhen Ye
Phys. Chem. Chem. Phys., Vol: 15, No: 5 , published: 07 February 2013
Cooperation of Hydrogen-Bond and Charge-Transfer Interactions in Molecular Complexes in the Solid State
Yasushi Morita, Tsuyoshi Murata, Kazuhiro Nakasuji
Bull. Chem. Soc. Jpn., Vol: 86, No: 2 , published: 01 February 2013
Inner-Sphere Structure of Rhodium Complexes with Tin(II) Chloride in Concentrated Hydrochloric Acid Solution
Hirokazu Narita, Mikiya Tanaka, Hideaki Shiwaku, Yoshihiro Okamoto, Atsushi Ikeda-Ohno, Tsuyoshi Yaita
Bull. Chem. Soc. Jpn., Vol: 86, No: 2 , published: 01 February 2013
Синтез и структура продуктов реакций 4-[(4-метилфенил)сульфанил]-5-метокси-3-хлор-2(5Н)-фуранона с N,N-бинуклеофильными реагентами
Л. С. Косолапова, А. Р. Курбангалиева, М. Ф. Валиев, О. А. Лодочникова, Е. А. Бердников, Г. А. Чмутова
Изв. РАН. Сер. хим., Vol: 2013, No: 2 , published: 01 February 2013
Синтез и структура 3-арил-2-(хинолин-2-ил)аминотропонов
Ю. А. Саяпин, Е. А. Гусаков, Зыонг Нгиа Банг, И. О. Тупаева, В. Н. Комиссаров, И. В. Дороган, В. В. Ткачев, С. М. Алдошин, В. И. Минкин
Изв. РАН. Сер. хим., Vol: 2013, No: 2 , published: 01 February 2013
Исследование 3-нитрофуразанов методом спектроскопии ЯМР
Д. Е. Дмитриев, Ю. А. Стреленко, А. Б. Шереметев
Изв. РАН. Сер. хим., Vol: 2013, No: 2 , published: 01 February 2013
Константы спин-спинового взаимодействия 13С—15N и 1H—15N в исследовании азидо-тетразольной таутомерии в ряду 2-азидопиримидинов
И. А. Халымбаджа, Т. С. Шестакова, С. Л. Деев, В. Л. Русинов, О. Н. Чупахин, З. О. Шенкарев, А. С. Арсеньев
Изв. РАН. Сер. хим., Vol: 2013, No: 2 , published: 01 February 2013
Excited-state dynamics of porphyrin–naphthalenediimide–porphyrin triads
Diego Villamaina, Sheshanath V. Bhosale, Steven J. Langford, Eric Vauthey
Phys. Chem. Chem. Phys., Vol: 15, No: 4 , published: 28 January 2013
The soft X-ray absorption spectrum of the allyl free radical
M. Alagia, E. Bodo, P. Decleva, S. Falcinelli, A. Ponzi, R. Richter, S. Stranges
Phys. Chem. Chem. Phys., Vol: 15, No: 4 , published: 28 January 2013
Ultrafast dynamics in iron tetracarbonyl olefin complexes investigated with two-dimensional vibrational spectroscopy
Matthijs R. Panman, Arthur C. Newton, Jannie Vos, Bart van den Bosch, Vladica Bocokić, Joost N. H. Reek, Sander Woutersen
Phys. Chem. Chem. Phys., Vol: 15, No: 4 , published: 28 January 2013
General treatment of the multimode Jahn–Teller effect: study of fullerene cations
Harry Ramanantoanina, Matija Zlatar, Pablo García-Fernández, Claude Daul, Maja Gruden-Pavlović
Phys. Chem. Chem. Phys., Vol: 15, No: 4 , published: 28 January 2013
Optical control of resonant Auger processes
Antonio Picón, Christian Buth, Gilles Doumy, Bertold Krässig, Linda Young, and Stephen H. Southworth
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 1 , published: 25 January 2013
Relation between properties of long-range diatomic bound states
Vladimír Špirko, Stephan P. A. Sauer, and Krzysztof Szalewicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 1 , published: 23 January 2013
Characterization of the MgO2+ dication in the gas phase: electronic states, spectroscopy and atmospheric implications
R. Linguerri, M. Hochlaf, M.-C. Bacchus-Montabonel, M. Desouter-Lecomte
Phys. Chem. Chem. Phys., Vol: 15, No: 3 , published: 21 January 2013
Conformationally resolved spectra of acetaminophen by UV-UV hole burning and IR dip spectroscopy in the gas phase
Woon Yong Sohn, Shun-ichi Ishiuchi, Mitsuhiko Miyazaki, Jeongseok Kang, Soyoung Lee, Ahreum Min, Myong Yong Choi, Hyuk Kang, Masaaki Fujii
Phys. Chem. Chem. Phys., Vol: 15, No: 3 , published: 21 January 2013
Acetylation makes the difference: a joint experimental and theoretical study on low-lying electronically excited states of 9H-adenine and 9-acetyladenine
Gernot Engler, Kai Seefeld, Michael Schmitt, Jörg Tatchen, Oliver Grotkopp, Thomas J. J. Müller, Karl Kleinermanns
Phys. Chem. Chem. Phys., Vol: 15, No: 3 , published: 21 January 2013
On heterogeneity in fluorescent few-atom silver nanoclusters
Isabel Díez, Robin H. A. Ras, Mykola I. Kanyuk, Alexander P. Demchenko
Phys. Chem. Chem. Phys., Vol: 15, No: 3 , published: 21 January 2013
Upper bound to the ionization energy of 85Rb2
M. A. Bellos, R. Carollo, J. Banerjee, M. Ascoli, A.-R. Allouche, E. E. Eyler, P. L. Gould, and W. C. Stwalley
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 1 , published: 18 January 2013
Formation of water polyhedrons in propofol–water clusters
Iker León, Emilio J. Cocinero, Anouk M. Rijs, Judith Millán, Eduardo Alonso, Alberto Lesarri, José A. Fernández
Phys. Chem. Chem. Phys., Vol: 15, No: 2 , published: 14 January 2013
First-principles simulation of the absorption bands of fluorenone in zeolite L
Xiuwen Zhou, Tomasz A. Wesolowski, Gloria Tabacchi, Ettore Fois, Gion Calzaferri, André Devaux
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
Pyrazine excited states revisited using the extended multi-state complete active space second-order perturbation method
Toru Shiozaki, Clemens Woywod, Hans-Joachim Werner
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
Modulation of excimer formation of 9-(dicyano-vinyl)julolidine by the macrocyclic hosts
Krishna Gavvala, Wilbee D. Sasikala, Abhigyan Sengupta, Siddhi A. Dalvi, Arnab Mukherjee, Partha Hazra
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
A combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(III) complex. A complete analysis of the EPR spectrum beyond the strong coupling limit
Marius Retegan, Marie-Noëlle Collomb, Frank Neese, Carole Duboc
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
Stability of excited dressed states with spin-orbit coupling
Long Zhang, Jin-Yi Zhang, Si-Cong Ji, Zhi-Dong Du, Hui Zhai, Youjin Deng, Shuai Chen, Peng Zhang, and Jian-Wei Pan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 1 , published: 02 January 2013
Reassociation of All-trans-3,4-Dihydroanhydrorhodovibrin with LH1 Subunits Isolated from Rhodospirillum rubrum: Selective Binding of All-trans Isomer from Mixture of cis- and trans-Isomers
Mai Yamamoto, Tomoko Horibe, Yoshiaki Nishisaka, Shuichi Suzuki, Masatoshi Kozaki, Ritsuko Fujii, Matsumi Doe, Mamoru Nango, Keiji Okada, Hideki Hashimoto
Bull. Chem. Soc. Jpn., Vol: 86, No: 1 , published: 01 January 2013
Photoinduced Triplet–Triplet Energy Transfer in a 2-Ureido-4(1H)-Pyrimidinone-Bridged, Quadruply Hydrogen-Bonded Ferrocene–Fullerene Assembly
Ke Feng, Mao-Lin Yu, Su-Min Wang, Ge-Xia Wang, Chen-Ho Tung, Li-Zhu Wu
ChemPhysChem., Vol: 14, No: 1 , published: 01 January 2013
Combining Spectroscopy and Theory to Evaluate Structural Models of Metalloenzymes: A Case Study on the Soluble [NiFe] Hydrogenase from Ralstonia eutropha
Marius Horch, Yvonne Rippers, Maria A. Mroginski, Peter Hildebrandt, Ingo Zebger
ChemPhysChem., Vol: 14, No: 1 , published: 01 January 2013
Синтез и спектральные исследования комплексов лантаноидов на основе диметил-N-бензоиламидофосфата в неводных растворах и кристаллическом состоянии
Н.С. Каряка, Т.Ю. Слива, В.В. Трачевский, К.А. Зновьяк, В.М. Амирханов
Доп. Нац. АН Украïни, Vol: 2013, No: 1 , published: 01 January 2013
О существовании молекул оксидов плутония в высших состояниях окисления
А. В. Зайцевский, А. В. Титов, С. С. Мальков,  И. Г. Тананаев, Ю. М. Киселев
Докл. РАН, Vol: 448, No: 1 , published: 01 January 2013
Стабильные ртутьорганические соединения, содержащие радикальный о-иминосемихиноновый лиганд
А. В. Пискунов, И. Н. Мещерякова, И. В. Смолянинов, Г. К. Фукин, В. К. Черкасов, Г. А. Абакумов
Изв. РАН. Сер. хим., Vol: 2013, No: 1 , published: 01 January 2013
Изучение реакции фосфорилирования третичных аминов методами спектроскопии ЯМР
Л. И. Ларина, В. Г. Розинов, Т. Н. Комарова
Изв. РАН. Сер. хим., Vol: 2013, No: 1 , published: 01 January 2013
Стереоселективное присоединение алифатических тиолов к интернальным алкинам в каталитической системе с «наносолью» палладия в качестве активного центра
Н. В. Орлов, И. В. Чистяков, З. А. Старикова, В. П. Анаников, И. П. Белецкая
Изв. РАН. Сер. хим., Vol: 2013, No: 1 , published: 01 January 2013
Каталитическая скелетная изомеризация гем-фторхлорциклопропанов под действием СuCl с получением фторхлоралкенов и фторхлоралкадиенов
М. А. Новиков, Н. В. Волчков, М. Б. Липкинд, О. М. Нефедов
Изв. РАН. Сер. хим., Vol: 2013, No: 1 , published: 01 January 2013
Синтез оксазолидиновых фосфинхалькогенидов из виниловых эфиров аминоспиртов
П. А. Волков, Н. И. Иванова, Н. К. Гусарова, Л. А. Опарина, Л. И. Ларина, О. В. Высоцкая, Н. А. Колыванов, И. Ю. Багрянская, Б. А. Трофимов
Изв. РАН. Сер. хим., Vol: 2013, No: 1 , published: 01 January 2013
Синтез замещенных хинолинов реакцией анилинов со спиртами и ССl4 под действием Fe-содержащих катализаторов
Р. И. Хуснутдинов, А. Р. Байгузина, Р. И. Аминов
Изв. РАН. Сер. хим., Vol: 2013, No: 1 , published: 01 January 2013
Новые бициклические производные 1,3-селеназина
А. Н. Прошин, И. В. Серков, А. С. Лермонтов, Е. Ф. Шевцова, М. Е. Неганова, С. О. Бачурин
Изв. РАН. Сер. хим., Vol: 2013, No: 1 , published: 01 January 2013
Доступный метод синтеза фосфата осельтамивира
А. И. Калашников, С. В. Сысолятин, Г. В. Сакович, Е. Г. Сонина, И. А. Щурова
Изв. РАН. Сер. хим., Vol: 2013, No: 1 , published: 01 January 2013
Первый синтез п-мента-1,8-диенового триола
О. В. Ардашов, Е. В. Хаид, О. С. Михальченко, Д. В. Корчагина, К. П. Волчо, Н. Ф. Салахутдинов
Изв. РАН. Сер. хим., Vol: 2013, No: 1 , published: 01 January 2013
Синтез лупановых тритерпеноидов с трифенилфосфониевыми фрагментами и изучение их противоопухолевой активности
А. Ю. Спивак, Д. А. Недопекина, Э. Р. Шакурова, Р. Р. Халитова, Р. Р. Губайдуллин, В. Н. Одиноков, У. М. Джемилев, Ю. П. Бельский, Н. В. Бельская, С. А. Станкевич, Е. В. Короткая, В. А. Хазанов
Изв. РАН. Сер. хим., Vol: 2013, No: 1 , published: 01 January 2013
Озониды с тетрагидрохинолиновым и дегидроабиетиновым фрагментами
А. Г. Толстиков, Р. Г. Савченко, Е. С. Лукина, Д. В. Недопекин, В. Н. Одиноков
Изв. РАН. Сер. хим., Vol: 2013, No: 1 , published: 01 January 2013
Синтез новых производных (+)-усниновой кислоты с флавоновым остовом
Д. Н. Соколов, М. Е. Рахманова, О. А. Лузина, А. В. Шернюков, Н. Ф. Салахутдинова
Изв. РАН. Сер. хим., Vol: 2013, No: 1 , published: 01 January 2013
Ethynyl-linked push–pull porphyrin hetero-dimers for near-IR dye-sensitized solar cells: photovoltaic performances versus excited-state dynamics
Yizhu Liu, Hong Lin, Jianbao Li, Joanne Ting Dy, Koichi Tamaki, Jotaro Nakazaki, Daisuke Nakayama, Chie Nishiyama, Satoshi Uchida, Takaya Kubo, Hiroshi Segawa
Phys. Chem. Chem. Phys., Vol: 14, No: 48 , published: 28 December 2012
How low can you go? Minimum energy pathways for O2 dissociation on Pt(111)
J.-S. McEwen, J. M. Bray, C. Wu, W. F. Schneider
Phys. Chem. Chem. Phys., Vol: 14, No: 48 , published: 28 December 2012
A new insight into the initial step in the Fischer–Tropsch synthesis: CO dissociation on Ru surfaces
Hongping Li, Gang Fu, Xin Xu
Phys. Chem. Chem. Phys., Vol: 14, No: 48 , published: 28 December 2012
Precision spectroscopy of the hydrogen molecular ion HD+
Zhen-Xiang Zhong, Pei-Pei Zhang, Zong-Chao Yan, and Ting-Yun Shi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 26 December 2012
Preparation, isolation, storage, and spectroscopic characterization of water vapor enriched in the ortho-H2O nuclear spin isomer
Pierre-Alexandre Turgeon, Patrick Ayotte, Elina Lisitsin, Yossi Meir, Tatyana Kravchuk, and Gil Alexandrowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 21 December 2012
Do primary nitrosamines form and exist in the gas phase? A computational study of CH3NHNO and (CH3)2NNO
Yizhen Tang, Michael Hanrath, Claus Jørgen Nielsen
Phys. Chem. Chem. Phys., Vol: 14, No: 47 , published: 21 December 2012
Electronic structures and optical properties of the IPR-violating C60X8 (X = H, F, and Cl) fullerene compounds: a computational study
Shu-Wei Tang, Feng-Di Wang, Nan-Nan Zhang, Ying-Fei Chang, Hao Sun, Jing-Ping Zhang, Hai-Ming Xie, Yong-Qing Qiu, Rong-Shun Wang
Phys. Chem. Chem. Phys., Vol: 14, No: 47 , published: 21 December 2012
о-Иминосемихиноновый комплекс олова(IV): пример металлоорганических инифертеров нового типа
Л. Б. Ваганова, А. А. Щепалов, И. Н. Мещерякова, М. Г. Чегерев, А. В. Пискунов, Д. Ф. Гришин
Докл. РАН, Vol: 447, No: 6 , published: 21 December 2012
Are single C60 fullerenes dielectric or metallic?
Henning Zettergren, Björn O. Forsberg, Henrik Cederquist
Phys. Chem. Chem. Phys., Vol: 14, No: 47 , published: 21 December 2012
Evolution of the structural and electronic properties of beryllium-doped aluminum clusters: comparison with neutral and cationic aluminum clusters
Wei-Ming Sun, Ying Li, Di Wu, Zhi-Ru Li
Phys. Chem. Chem. Phys., Vol: 14, No: 47 , published: 21 December 2012
On the discrepancy between theory and experiment for the F–F spin–spin coupling constant of difluoroethyne
Rasmus Faber, Stephan P. A. Sauer
Phys. Chem. Chem. Phys., Vol: 14, No: 47 , published: 21 December 2012
On the intrinsic photophysics of indigo: a time-resolved photoelectron spectroscopy study of the indigo carmine dianion
Adam S. Chatterley, Daniel A. Horke, Jan R. R. Verlet
Phys. Chem. Chem. Phys., Vol: 14, No: 46 , published: 14 December 2012
Photo- and electro-functional self-assembled architectures of porphyrins
Taku Hasobe
Phys. Chem. Chem. Phys., Vol: 14, No: 46 , published: 14 December 2012
Structures and stabilities of group 17 fluorides EF3 (E = I, At, and element 117) with spin–orbit coupling
Dong-Dong Yang, Fan Wang
Phys. Chem. Chem. Phys., Vol: 14, No: 45 , published: 05 December 2012
Синтез (Z )-стирилфурокумаринов – гетероциклических аналогов комбретастатинов
А. В. Липеева, Э. Э. Шульц, M. М. Шакиров, Г. А. Толстиков
Докл. РАН, Vol: 447, No: 4 , published: 01 December 2012
Параметры магнитной анизотропии матрично-изолированного септетного 1,3,5-тринитрено-2,4,6-трихлорбензола
Е. Я. Мисочко, А. В. Акимов, А. А. Мазитов, Д. В. Корчагин, С. В. Чапышев
Изв. РАН. Сер. хим., Vol: 2012, No: 12 , published: 01 December 2012
Photoluminescence of aromatic compounds in photon traps under resonant pulse-periodic excitation
Yu. P. Voinov, V. S. Gorelik, A. Yu. Pyatyshev, M. F. Umarov
Кpатк. сообщ. по физ. ФИAН, Vol: 2012, No: 12 , published: 01 December 2012
Новые тетраарилтетрацианопорфиразиновые комплексы ванадила с повышенными электроноакцепторными свойствами
И. С. Григорьев, С. А. Лермонтова, Л. Г. Клапшина, В. В. Семенов, Б. А. Бушук, У. Дуглас (W.Douglas), С. Клеман (S.Clement), Г. А. Домрачев
Докл. РАН, Vol: 447, No: 4 , published: 01 December 2012
Краунсодержащие нафто- и антрахиноны: синтез и комплексообразование с катионами щелочных и щелочноземельных металлов
Т. П. Мартьянов, Е. Н. Ушаков, В. А. Савельев, Л. С. Клименко
Изв. РАН. Сер. хим., Vol: 2012, No: 12 , published: 01 December 2012
Reactions of Oxidobis(quinolin-8-olato)vanadium(IV) with Hydroxamate Ligands: A Route Providing Mixed Ligand and Quinolin-8-olato-Free Vanadium(IV) Complexes
Neeraj Sharma, Shamsher Singh Kanwar, Reena Gupta, Lata Kumari, Reena Sharma
Bull. Chem. Soc. Jpn., Vol: 85, No: 12 , published: 01 December 2012
Новый тип катализаторов асимметрического образования связей С—С на основе хиральных стереохимически инертных катионных комплексов СoIII
Ю. Н. Белоконь, В. А. Ларионов, А. Ф. Мкртчян, В. Н. Хрусталев, А. Ниджланд, А. С. Сагиян, И. А. Годовиков, А. С. Перегудов, К. К. Бабиевский, Н. С. Иконников, В. И. Малеев
Изв. РАН. Сер. хим., Vol: 2012, No: 12 , published: 01 December 2012
Синтез, строение и фрагментация гидразонов тиогидразидов оксаминовых кислот — производных 4-гидрокси-3-формилкумарина
Б. Г. Милевский, Н. П. Соловьева, Т. А. Чибисова,аВ. Н. Яровенко, Е. С. Заякин, В. В. Чернышев, М. М. Краюшкин, В. Ф. Травень
Изв. РАН. Сер. хим., Vol: 2012, No: 12 , published: 01 December 2012
Ориентация металлирования амидных, карбаматных, уреидных и аллильных производных цимантрена
Е. С. Келбышева, Л. Н. Телегина, И. А. Годовиков, Т. В. Стрелкова, А. Ф. Смольяков, Ф. М. Долгушин, Н. М. Лойм
Изв. РАН. Сер. хим., Vol: 2012, No: 12 , published: 01 December 2012
Excited state absorption: a key phenomenon for the improvement of biphotonic based optical limiting at telecommunication wavelengths
Quentin Bellier, Nikolay S. Makarov, Pierre-Antoine Bouit, Stéphane Rigaut, Kenji Kamada, Patrick Feneyrou, Gérard Berginc, Olivier Maury, Joseph W. Perry, Chantal Andraud
Phys. Chem. Chem. Phys., Vol: 14, No: 44 , published: 28 November 2012
Measuring the distance between two mercapto groups with an optical molecular ruler on the nanometer scale
Fan Gao, Erdong Yao, Wei Wang, Hao Chen, Yuguo Ma
Phys. Chem. Chem. Phys., Vol: 14, No: 44 , published: 28 November 2012
Electronic fluxes during large amplitude vibrations of single, double and triple bonds
Timm Bredtmann, Emanuel Hupf, Beate Paulus
Phys. Chem. Chem. Phys., Vol: 14, No: 44 , published: 28 November 2012
Relativistic effects in triphenylbismuth and their influence on molecular structure and spectroscopic properties
Raphael J. F. Berger, Daniel Rettenwander, Stefan Spirk, Christian Wolf, Michael Patzschke, Martin Ertl, Uwe Monkowius, Norbert W. Mitzel
Phys. Chem. Chem. Phys., Vol: 14, No: 44 , published: 28 November 2012
Resonant X-ray emission spectroscopy reveals d–d ligand-field states involved in the self-assembly of a square-planar platinum complex
Claudio Garino, Erik Gallo, Nikolay Smolentsev, Pieter Glatzel, Roberto Gobetto, Carlo Lamberti, Peter J. Sadler, Luca Salassa
Phys. Chem. Chem. Phys., Vol: 14, No: 44 , published: 28 November 2012
Ultracold fluorine production via Doppler cooled BeF
Ian C. Lane
Phys. Chem. Chem. Phys., Vol: 14, No: 43 , published: 21 November 2012
The invalidity of the photo-induced electron transfer mechanism for fluorescein derivatives
Panwang Zhou, Jianyong Liu, Songqiu Yang, Junsheng Chen, Keli Han, Guozhong He
Phys. Chem. Chem. Phys., Vol: 14, No: 43 , published: 21 November 2012
Electronic structure and bonding of lanthanoid(III) carbonates
Yannick Jeanvoine, Pere Miró, Fausto Martelli, Christopher J. Cramer, Riccardo Spezia
Phys. Chem. Chem. Phys., Vol: 14, No: 43 , published: 21 November 2012
DFT studies on the structure and properties of the carbon aluminium Al3C cluster, a pseudohalogen superatom
Qiong Luo
Phys. Chem. Chem. Phys., Vol: 14, No: 43 , published: 21 November 2012
Binding of cerium monoxide to annulenes and buckybowls
Athanassios C. Tsipis
Phys. Chem. Chem. Phys., Vol: 14, No: 43 , published: 21 November 2012
Attaching molecular hydrogen to metal cations: perspectives from gas-phase infrared spectroscopy
Viktoras Dryza, Berwyck L. J. Poad, Evan J. Bieske
Phys. Chem. Chem. Phys., Vol: 14, No: 43 , published: 21 November 2012
Endohedral metallofullerene Sc3NC@C84: a theoretical prediction
Dong-Lai Wang, Hong-Liang Xu, Zhong-Min Su, Guang Xin
Phys. Chem. Chem. Phys., Vol: 14, No: 43 , published: 21 November 2012
Water binding energies of [Pb(amino acid-H)H2O]+ complexes determined by blackbody infrared radiative dissociation
Michael B. Burt, Sarah G. A. Decker, Travis D. Fridgen
Phys. Chem. Chem. Phys., Vol: 14, No: 43 , published: 21 November 2012
The π-conjugated P-flowers C16(PH)8 and C16(PF)8 are potential materials for organic n-type semiconductors
Vu Thi Thu Huong, Truong Ba Tai, Minh Tho Nguyen
Phys. Chem. Chem. Phys., Vol: 14, No: 43 , published: 21 November 2012
Chemical bonding in supermolecular flowers
Abril C. Castro, Mikael P. Johansson, Gabriel Merino, Marcel Swart
Phys. Chem. Chem. Phys., Vol: 14, No: 43 , published: 21 November 2012
Ab initio nonadiabatic study of the 3pπD 1 Πu+ state of H2 and D2
M. Glass-Maujean, H. Schmoranzer, Ch. Jungen, I. Haar, A. Knie, P. Reiss, and A. Ehresmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 5 , published: 15 November 2012
Size-dependent fluorescence properties of [n]cycloparaphenylenes (n = 8–13), hoop-shaped π-conjugated molecules
Mamoru Fujitsuka, Dae Won Cho, Takahiro Iwamoto, Shigeru Yamago, Tetsuro Majima
Phys. Chem. Chem. Phys., Vol: 14, No: 42 , published: 14 November 2012
Sequential energy and charge transfer processes in mixed host–guest complexes of subphthalocyanine, porphyrin and phthalocyanine chromophores
Roel Menting, Dennis K. P. Ng, Beate Röder, Eugeny A. Ermilov
Phys. Chem. Chem. Phys., Vol: 14, No: 42 , published: 14 November 2012
Three Modes of Proton Transfer in One Chromophore: Photoinduced Tautomerization in 2-(1H-Pyrazol-5-yl)Pyridines, Their Dimers and Alcohol Complexes
Volha Vetokhina, Krzysztof Dobek, Michał Kijak, Izabela I. Kamińska, Keven Muller, Werner R. Thiel, Jacek Waluk, Jerzy Herbich
ChemPhysChem., Vol: 13, No: 16 , published: 12 November 2012
Effect on Charge Transfer and Charge Recombination by Insertion of a Naphthalene-Based Bridge in Molecular Dyads Based on Borondipyrromethene (Bodipy)
Andrew C. Benniston, Sophie Clift, Jerry Hagon,  Helge Lemmetyinen, Nikolai V. Tkachenko, William Clegg, Ross W. Harrington
ChemPhysChem., Vol: 13, No: 16 , published: 12 November 2012
Switching Properties of a Spiropyran–Cucurbit[7]uril Supramolecular Assembly: Usefulness of the Anchor Approach
Jesper R. Nilsson, Cátia Parente Carvalho, Shiming Li, José Paulo Da Silva, Joakim Andréasson, Uwe Pischel
ChemPhysChem., Vol: 13, No: 16 , published: 12 November 2012
Theoretical Insight into the Origin of Large Stokes Shift and Photophysical Properties of Anilido-Pyridine Boron Difluoride Dyes
Jun-Ling Jin, Hai-Bin Li, Yun Geng, Yong Wu, Yu-Ai Duan, Zhong-Min Su
ChemPhysChem., Vol: 13, No: 16 , published: 12 November 2012
Hyperfine Coupling Constants on Inner-Sphere Water Molecules of GdIII-Based MRI Contrast Agents
David Esteban-Gómez, Andrés de Blas, Teresa Rodríguez-Blas, Lothar Helm, Carlos Platas-Iglesias
ChemPhysChem., Vol: 13, No: 16 , published: 12 November 2012
New dibenzofuran/spirobifluorene hybrids as thermally stable host materials for efficient phosphorescent organic light-emitting diodes with low efficiency roll-off
Shou-Cheng Dong, Chun-Hong Gao, Zhao-Hu Zhang, Zuo-Quan Jiang, Shuit-Tong Lee, Liang-Sheng Liao
Phys. Chem. Chem. Phys., Vol: 14, No: 41 , published: 07 November 2012
Designing benzosiloles for better optoelectronic properties using DFT & TDDFT approaches
Rajadurai Vijay Solomon, Antony Paulraj Bella, Swaminathan Angeline Vedha, Ponnambalam Venuvanalingam
Phys. Chem. Chem. Phys., Vol: 14, No: 41 , published: 07 November 2012
Fine-tuning device performances of small molecule solar cells via the more polarized DPP-attached donor units
Jianhua Huang, Hui Jia, Liangjie Li, Zhenhuan Lu, Wenqing Zhang, Weiwei He, Bo Jiang, Ailing Tang, Zhan'ao Tan, Chuanlang Zhan, Yongfang Li, Jiannian Yao
Phys. Chem. Chem. Phys., Vol: 14, No: 41 , published: 07 November 2012
Lowest excited states and optical absorption spectra of donor–acceptor copolymers for organic photovoltaics: a new picture emerging from tuned long-range corrected density functionals
Laxman Pandey, Curtis Doiron, John S. Sears, Jean-Luc Brédas
Phys. Chem. Chem. Phys., Vol: 14, No: 41 , published: 07 November 2012
Novel bipolar host materials based on 1,3,5-triazine derivatives for highly efficient phosphorescent OLEDs with extremely low efficiency roll-off
Xiao-Ke Liu, Cai-Jun Zheng, Jing Xiao, Jun Ye, Chuan-Lin Liu, Sui-Dong Wang, Wei-Ming Zhao, Xiao-Hong Zhang
Phys. Chem. Chem. Phys., Vol: 14, No: 41 , published: 07 November 2012
Intermolecular electron transfer promoted by directional donor–acceptor attractions in self-assembled diketopyrrolopyrrole-thiophene films
Huiying Liu, Hui Jia, Lanfen Wang, Yishi Wu, Chuanlang Zhan, Hongbing Fu, Jiannian Yao
Phys. Chem. Chem. Phys., Vol: 14, No: 41 , published: 07 November 2012
Optoelectronic properties of (ZnO)60 isomers
Claudia Caddeo, Giuliano Malloci, Filippo De Angelis, Luciano Colombo, Alessandro Mattoni
Phys. Chem. Chem. Phys., Vol: 14, No: 41 , published: 07 November 2012
Magnetic Fe3O4-Au core-shell nanostructures for surface enhanced Raman scattering
D.A. Wheeler, S.A. Adams, T. López-Luke, A. Torres-Castro, J.Z. Zhang
Annalen der Physik , Vol: 524, No: 11 , published: 01 November 2012
Синтез и фотохромные свойства дитиенилмалеинимидов с серосодержащими фрагментами
О. Ю. Кузнецова, И. В. Платонова, Б. В. Личицкий, М. М. Краюшкин, В. А. Барачевский
Изв. РАН. Сер. хим., Vol: 2012, No: 11 , published: 01 November 2012
Syntheses, structure, and tribological study of 1-phenyl-3-methyl-4-dodecyliminomethylenepyrazol-5-one and its complexes with copper(II)
A. S. Burlov, A. S. Antsyshkina, G. G. Sadikov, V. S. Sergienko, A. I. Uraev, E. V. Korshunova, D. A. Garnovskii, T. V. Lifintseva, G. S. Borodkin, A. G. Ponomarenko, G. G. Chigarenko, I. L. Eremenko
Ж. общ. химии, Vol: 82, No: 11 , published: 01 November 2012
Synthesis and study of properties of the polyhexamethyleneguanidine complexes with the ions Cu2+, Zn2+, and Ni2+
V. A. Dobysh, N. V. Koktysh, V. A. Tarasevich, V. E. Agabekov, V. N. Makatun, L. I. Antonovskaya, N. A. Belyasova
Ж. общ. химии, Vol: 82, No: 11 , published: 01 November 2012
X-ray diffraction, magnetochemical, and quantum chemical study of the structure and properties of binuclear copper(II) complexes
S. A. Nikolaevskii, A. S. Burlov, A. S. Bogomyakov, V. G. Vlasenko, D. A. Garnovskiy, A. G. Starikov, Ya. V. Zubavichus, I. S. Vasilchenko, S. I. Levchenkov, A. I. Uraev
Ж. общ. химии, Vol: 82, No: 11 , published: 01 November 2012
Fluorescent Tin(IV) Complexes with Schiff Base Ligands: Synthesis, Structures, and Fluorescence Lifetime
Kentaro Takano, Masayuki Takahashi, Takaaki Fukushima, Makoto Takezaki, Toshihiro Tominaga, Haruo Akashi, Hideaki Takagi, Takashi Shibahara
Bull. Chem. Soc. Jpn., Vol: 85, No: 11 , published: 01 November 2012
Новые прекурсоры для получения наноматериалов на основе комплекса неодима
А.С. Бережницкая, И.А. Савченко, Е.К. Трунова, А.А. Роговцов, Н.Б. Иваха
Доп. Нац. АН Украïни, Vol: 2012, No: 11 , published: 01 November 2012
Синтез и аминометилирование некоторых гетероциклических NH-кислот, содержащих α-нитроксиалкильный заместитель
А. Г. Корепин, Л. Б. Романова, Н. М. Глушакова, В. С. Малыгина, Л. С. Баринова, Г. В. Лагодзинская, Н. Г. Юнда, В. П. Лодыгина
Изв. РАН. Сер. хим., Vol: 2012, No: 11 , published: 01 November 2012
Синтез и изучение строения продуктов окислительного сочетания 2-гидрокси-3-алкилнафтазаринов
Д. Н. Пелагеев, С. В. Драган, М. А. Пушилин, В. А. Денисенко, Д. В. Бердышев, В. П. Глазунов, В. Ф. Ануфриева
Изв. РАН. Сер. хим., Vol: 2012, No: 11 , published: 01 November 2012
Синтез 1,2,3-триазолов на основе гетероциклических αнитроазидов
Д. В. Каторов, Г. Ф. Рудаков, И. Н. Каторова, А. В. Якушков, Д. П. Симонов, В. Ф. Жилин
Изв. РАН. Сер. хим., Vol: 2012, No: 11 , published: 01 November 2012
Модификация биологически активных амидов и аминов фторсодержащими гетероциклами. Сообщение 7.* Фторсодержащие гетероциклические производные ацетазоламида
В. Б. Соколов, А. Ю. Аксиненко
Изв. РАН. Сер. хим., Vol: 2012, No: 11 , published: 01 November 2012
Взаимодействие серосодержащих СН-кислот с формальдегидом и первичными аминами по типу реакции Манниха
Л. И. Власова, Н. З. Байбулатова, В. А. Докичев, Ю. В. Томилов
Изв. РАН. Сер. хим., Vol: 2012, No: 11 , published: 01 November 2012
Регио- и стереоселективный способ превращения эфиров (2S,3R)-β-фенилглицидной кислоты в таксоиды и другие энантиочистые сложные эфиры (2R,3S)-фенилизосерина
А. А. Афонькин, Л. М. Кострикин, А. Е. Шумейко, А. Ф. Попов, А. А. Матвеев , В. Н. Матвиенко, А. Ф. Забудкин
Изв. РАН. Сер. хим., Vol: 2012, No: 11 , published: 01 November 2012
Reaction of diethyl 5-hydrazino-2-(4-methylphenyl)-1,3-oxazol-4-ylphosphonate with acyl isothiocyanates
K. M. Kondratyuk, E. I. Lukashuk, A. V. Golovchenko, V. S. Brovarets
Ж. общ. химии, Vol: 82, No: 11 , published: 01 November 2012
Synthesis of the unsaturated diamines by the Stevens rearrangement of 4-diethylaminobutyn-2-yl-containing ammonium salts
M. O. Manukyan, K. S. Barseghyan, A. V. Babakhanyan, A. A. Shahkhatuni, A. Kh. Gyulnazaryan
Ж. общ. химии, Vol: 82, No: 11 , published: 01 November 2012
Luminescent zinc(II) and cadmium(II) complexes based on 2-(4,5-dimethyl-1H-imidazol-2-yl)pyridine and 2-(1-hydroxy-4,5-dimethyl-1H-imidazol-2-yl)pyridine
M. B. Bushuev, B. A. Selivanov, N. V. Pervukhina, D. Yu. Naumov, M. I. Rakhmanova, L. A. Sheludyakova, A. Ya. Tikhonov, S. V. Larionov
Ж. общ. химии, Vol: 82, No: 11 , published: 01 November 2012
Strongly driven resonant Auger effect treated by an open-quantum-system approach
Nina Rohringer and Robin Santra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 31 October 2012
Two-Photon Absorption and Time-Resolved Stimulated Emission Depletion Spectroscopy of a New Fluorenyl Derivative
Kevin D. Belfield, Mykhailo V. Bondar, Alma R. Morales, Xiling Yue, Gheorghe Luchita, Olga V. Przhonska, Olexy D. Kachkovsky
ChemPhysChem., Vol: 13, No: 15 , published: 22 October 2012
Hyperfine Coupling Constants of β-Phosphorylated Nitroxides: A Tool to Probe the Cybotactic Effect by Electron Paramagnetic Resonance
Gérard Audran, Paul Brémond, Sylvain R. A. Marque, Germain Obame
ChemPhysChem., Vol: 13, No: 15 , published: 22 October 2012
Effects of Fluorine Substitution on the Shape of Neurotransmitters: the Rotational Spectrum of 2-(2-Fluorophenyl)Ethanamine
Sonia Melandri, Anna Merloni, Assimo Maris
ChemPhysChem., Vol: 13, No: 15 , published: 22 October 2012
Femtosecond transient absorption spectroscopy of copper(II)–curcumin complexes
Mandy H. M. Leung, Duc-Truc Pham, Stephen F. Lincoln, Tak W. Kee
Phys. Chem. Chem. Phys., Vol: 14, No: 39 , published: 21 October 2012
The microwave spectrum of neurotransmitter serotonin
Carlos Cabezas, Marcelino Varela, Isabel Peña, Juan C. López, José L. Alonso
Phys. Chem. Chem. Phys., Vol: 14, No: 39 , published: 21 October 2012
Barrierless photoisomerisation of the “simplest cyanine”: Joining computational and femtosecond optical spectroscopies to trace the full reaction path
Alexander Weigel, Matthias Pfaffe, Mohsen Sajadi, Rainer Mahrwald, Roberto Improta, Vincenzo Barone, Dario Polli, Giulio Cerullo, Nikolaus P. Ernsting, Fabrizio Santoro
Phys. Chem. Chem. Phys., Vol: 14, No: 38 , published: 14 October 2012
Theoretical studies on the isomerization mechanism of the ortho-green fluorescent protein chromophore
Yue-Jie Ai, Rong-Zhen Liao, Wei-Hai Fang, Yi Luo
Phys. Chem. Chem. Phys., Vol: 14, No: 38 , published: 14 October 2012
Competing 1πσ* mediated dynamics in mequinol: O–H versus O–CH3 photodissociation pathways
David J. Hadden, Gareth M. Roberts, Tolga N. V. Karsili, Michael N. R. Ashfold, Vasilios G. Stavros
Phys. Chem. Chem. Phys., Vol: 14, No: 38 , published: 14 October 2012
Luminescence and upconversion from thulium(III) species in solution
Octavia A. Blackburn, Manuel Tropiano, Thomas Just Sørensen, James Thom, Andrew Beeby, Lisa M. Bushby, David Parker, Louise S. Natrajan, Stephen Faulkner
Phys. Chem. Chem. Phys., Vol: 14, No: 38 , published: 14 October 2012
Substituent Effect on the π Linkers in Triphenylamine Dyes for Sensitized Solar Cells: A DFT/TDDFT Study
Jie Xu, Ligen Zhu, Dong Fang, Biao Chen,  Li Liu,  Luoxin Wang,  Weilin Xu
ChemPhysChem., Vol: 13, No: 14 , published: 08 October 2012
Modified 6-Aza Uridines: Highly Emissive pH-Sensitive Fluorescent Nucleosides
Renatus W. Sinkeldam, Patrycja A. Hopkins,  Yitzhak Tor
ChemPhysChem., Vol: 13, No: 14 , published: 08 October 2012
Tetrathiafulvalene-Fused Porphyrins via Quinoxaline Linkers: Symmetric and Asymmetric Donor–Acceptor Systems
Hongpeng Jia, Belinda Schmid, Shi-Xia Liu, Michael Jaggi, Philippe Monbaron, Sheshanath V. Bhosale , Shadi Rivadehi, Steven J. Langford, Lionel Sanguinet, Eric Levillain, Mohamed E. El-Khouly, Ysushi Morita, Shunichi Fukuzumi, Silvio Decurtins
ChemPhysChem., Vol: 13, No: 14 , published: 08 October 2012
Complex Formation of d-Metal Ions at the Interface of TbIII-Doped Silica Nanoparticles as a Basis of Substrate-Responsive TbIII-Centered Luminescence
Nikolay Davydov, Asiya Mustafina, Vladimir Burilov,  Elena Zvereva, Sergey Katsyuba, Liliya Vagapova,  Alexander Konovalov,  Igor Antipin
ChemPhysChem., Vol: 13, No: 14 , published: 08 October 2012
Photoinduced water splitting with oxotitanium porphyrin: a computational study
Andrzej L. Sobolewski, Wolfgang Domcke
Phys. Chem. Chem. Phys., Vol: 14, No: 37 , published: 05 October 2012
Electronic excitations of C60 aggregates
A. L. Montero-Alejo, E. Menéndez-Proupin, M. E. Fuentes, A. Delgado, F.-P. Montforts, L. A. Montero-Cabrera, J. M. García de la Vega
Phys. Chem. Chem. Phys., Vol: 14, No: 37 , published: 05 October 2012
Photoisomerization dynamics of N-1-methyl-2-(tolylazo) imidazole and the effect of complexation with Cu(II)
Jahur A. Mondal, Gunomoni Saha, Chittaranjan Sinha, Dipak K. Palit
Phys. Chem. Chem. Phys., Vol: 14, No: 37 , published: 05 October 2012
Orientation of doubly excited states in N2
John E. Furst, T. J. Gay, Joshua Machacek, David Kilkoyne, and Kenneth W. McLaughlin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 4 , published: 02 October 2012
Внутрикластерные реакции, индуцированные в кластерах (CF3 I)n фемтосекундным УФ-излучением
Апатин В.М., Компанец В.О., Лохман В.Н., Огурок В.Н., Пойдашев Д.Г., Рябов Е.А., Чекалин С.В.
Ж. эксперим. и теор. физ., Vol: 142, No: 4 , published: 01 October 2012
Self-Assembly, Chromic Properties, and Nanostructure Formation of Tetrathiafulvalene-Fused Dodecadehydro[18]annulenes
Hideo Enozawa, Takeshi Takahashi, Tohru Nishinaga, Tadashi Kato, Masashi Hasegawa, Masahiko Iyoda
Bull. Chem. Soc. Jpn., Vol: 85, No: 10 , published: 01 October 2012
Preparation, Crystal Structures, and Behavior in Solution of Cobalt(III) Complexes Containing 2-Cyanoethylphosphines: trans-[Co(Me2dtc)2{P(CH2CH2CN)nPh3−n}]BF4 (n = 1–3; Me2dtc: N,N-Dimethyldithiocarbamate)
Keiko Kihara, Takayoshi Suzuki, Masakazu Kita, Yukinari Sunatsuki, Masaaki Kojima, Hideo D. Takagi
Bull. Chem. Soc. Jpn., Vol: 85, No: 10 , published: 01 October 2012
Синтетические трансформации сесквитерпеновых лактонов Сообщение 6.* Производные алантолактона и изоалантолактона в реакции Хека
Э. Э. Шульц, А. В. Беловодский, М. М. Шакиров, Г. А. Толстиков
Изв. РАН. Сер. хим., Vol: 2012, No: 10 , published: 01 October 2012
Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments
Vincenzo Barone, Alberto Baiardi, Malgorzata Biczysko, Julien Bloino, Chiara Cappelli, Filippo Lipparini
Phys. Chem. Chem. Phys., Vol: 14, No: 36 , published: 28 September 2012
Spectral properties of polypyridyl ruthenium complexes intercalated in DNA: theoretical insights into the surrounding effects of [Ru(dppz)(bpy)2]2+
Thibaut Very, Stéphane Despax, Pascal Hébraud, Antonio Monari, Xavier Assfeld
Phys. Chem. Chem. Phys., Vol: 14, No: 36 , published: 28 September 2012
XYG3 and XYGJ-OS performances for noncovalent binding energies relevant to biomolecular structures
Igor Ying Zhang, Xin Xu
Phys. Chem. Chem. Phys., Vol: 14, No: 36 , published: 28 September 2012
Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by 35Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction
Yasuhiro Tobu, Ryuichi Ikeda, Taka-aki Nihei, Kazuma Gotoh, Hiroyuki Ishida, Tetsuo Asaji
Phys. Chem. Chem. Phys., Vol: 14, No: 35 , published: 21 September 2012
Formation and Stability of Bulk Carbonic Acid (H2CO3) by Protonation of Tropospheric Calcite
Juergen Bernard, Markus Seidl, Erwin Mayer,  Thomas Loerting
ChemPhysChem., Vol: 13, No: 13 , published: 17 September 2012
The Chemical Bond in Carbonyl and Sulfinyl Groups Studied by Soft X-ray Spectroscopy and ab Initio Calculations
Kaan Atak, Nicholas Engel, Kathrin M. Lange, Ronny Golnak, Malte Gotz, Mikhail Soldatov,  Jan-Erik Rubensson,  Nobuhiro Kosugi, Emad F. Aziz
ChemPhysChem., Vol: 13, No: 13 , published: 17 September 2012
Electronic Excitation of [(μ42-alkyne)Rh4(CO)8(μ-CO)2]: An In Situ UV/Vis Spectroscopy, Spectral Reconstruction and DFT Study
Feng Gao, Michael B. Sullivan, Gulnara M. Kuramshina, Liangfeng Guo, Marc Garland
ChemPhysChem., Vol: 13, No: 13 , published: 17 September 2012
Sensitisation of the Near-Infrared Emission of NdIII from the Singlet State of Porphyrins Bearing Four 8-Hydroxyquinolinylamide Chelates
Aurélie Guenet, Fabrice Eckes, Véronique Bulach, Cristian A. Strassert, Luisa De Cola, Mir Wais Hosseini
ChemPhysChem., Vol: 13, No: 13 , published: 17 September 2012
Multichromophoric Calix[4]arenes: Effect of Interchromophore Distances on Linear and Nonlinear Optical Properties
Raquel Andreu, Santiago Franco, Javier Garín, Judith Romero, Belén Villacampa, María Jesús Blesa, Jesús Orduna
ChemPhysChem., Vol: 13, No: 13 , published: 17 September 2012
Photoelectron imaging and theoretical calculations of gold–silver hydrides: comparing the characteristics of Au, Ag and H in small clusters
Hua Xie, Xiaopeng Xing, Zhiling Liu, Ran Cong, Zhengbo Qin, Xia Wu, Zichao Tang, Hongjun Fan
Phys. Chem. Chem. Phys., Vol: 14, No: 33 , published: 07 September 2012
Photosensitizing properties of biopterin and its photoproducts using 2′-deoxyguanosine 5′-monophosphate as an oxidizable target
Mariana P. Serrano, Carolina Lorente, Faustino E. Morán Vieyra, Claudio D. Borsarelli, Andrés H. Thomas
Phys. Chem. Chem. Phys., Vol: 14, No: 33 , published: 07 September 2012
Effect of alicyclic ring size on the photophysical and photochemical properties of bis(arylidene)cycloalkanone compounds
Qianli Zou, Yuxia Zhao, Nikolay S. Makarov, Jochen Campo, Hao Yuan, De-Cai Fang, Joseph W. Perry, Feipeng Wu
Phys. Chem. Chem. Phys., Vol: 14, No: 33 , published: 07 September 2012
Microwave survey of the conformational landscape exhibited by the propeller molecule triethyl amine
Ha Vinh Lam Nguyen, Raphaela Kannengießer, Wolfgang Stahl
Phys. Chem. Chem. Phys., Vol: 14, No: 33 , published: 07 September 2012
Образование центров окраски и парамагнитных частиц при восстановлении полидифениленфталида металлическим литием в диметилформамиде
Н. М. Шишлов, С. Л. Хурсан, С. И. Масленников, Н. Г. Гилева
Изв. РАН. Сер. хим., Vol: 2012, No: 9 , published: 01 September 2012
Новые термически стабильные фотохромные ди(гет)арилэтены циклопентенонового ряда
Д. В. Лоншаков, В. З. Ширинян, А. Г. Львов, М. М. Краюшкин
Изв. РАН. Сер. хим., Vol: 2012, No: 9 , published: 01 September 2012
Self-Assembly of Zinc Bacteriochlorophyll d Derivative Possessing a Triethoxysilyl Group at the 17-Propionate Residue
Naoya Takahashi, Sunao Shoji, Hitoshi Tamiaki, Yoshitaka Saga
Bull. Chem. Soc. Jpn., Vol: 85, No: 9 , published: 01 September 2012
Comparative Spectroscopic Studies of Iron(III) and Manganese(III) Salen Complexes Having a Weakly Coordinating Triflate Axial Ligand
Takuya Kurahashi, Hiroshi Fujii
Bull. Chem. Soc. Jpn., Vol: 85, No: 9 , published: 01 September 2012
Закономерности переэтерификации метилового эфира 3-(3,5-ди-трет-бутил-4-гидроксифенил)пропановой кислоты тетра(гидроксиметил)метаном и свойства продуктов реакции
А. А. Володькин, Г. Е. Заиков, Н. М. Евтеева
Изв. РАН. Сер. хим., Vol: 2012, No: 9 , published: 01 September 2012
Новые бинарные соединения на основе 1,2,4-тиадиазола
А. Н. Прошин, И. В. Серков, С. О. Бачурин
Докл. РАН, Vol: 446, No: 1 , published: 01 September 2012
Реакции 3-нитро-1,1,1-тригалогенбут-2-енов с енаминами, образующимися из циклоалканонов. Перегруппировка трифторметилированных 1,2-оксазин-N-оксидов в 1-пирролин-N-оксиды и стереохимия продуктов
В. Ю. Коротаев, А. Ю. Барков, П. А. Слепухин, В. Я. Сосновских
Изв. РАН. Сер. хим., Vol: 2012, No: 9 , published: 01 September 2012
Синтез и модификация светочувствительных 3-ацил-2-гетарилхромонов, содержащих бромметильную группу в ацильном фрагменте
И. С. Семенова, К. С. Левченко, В. Н. Яровенко, М. M. Краюшкин, В. A. Барачевский, O. И. Кобелева, T. M. Валова
Изв. РАН. Сер. хим., Vol: 2012, No: 9 , published: 01 September 2012
Синтез 1,6-дигидро-1,6-дигидроксибензо[1,2-d:3,4-d´]бистриазола, 4- и 5-нитро-1,6-дигидро-1,6-дигидроксибензо[1,2-d:3,4-d´]бистриазола и 4,7-дигидро-1,4,7-тригидрокси-1Н-бензо[1,2-d:3,4-d´:5,6-d``]трис[1,2,3]триазола
В. А. Самсонов, Ю. В. Гатилов, Л. Б. Володарский
Изв. РАН. Сер. хим., Vol: 2012, No: 9 , published: 01 September 2012
Синтез 1-аза-3,6-дифосфациклогептанов с пиридилалкильными заместителями при атоме азота
Т. И. Фесенко, И. Д. Стрельник, Э. И. Мусина, А. А. Карасик, О. Г. Синяшин
Изв. РАН. Сер. хим., Vol: 2012, No: 9 , published: 01 September 2012
Первый синтез макроциклических фуранолабданоидов реакцией циклоприсоединения диацетиленовых производных ламбертиановой кислоты к 1,5-диазидопентану
Ю. В. Харитонов, Э. Э. Шульц, M. М. Шакиров, И. Ю. Багрянская, Г. А. Толстиков
Докл. РАН, Vol: 446, No: 2 , published: 01 September 2012
Ultrafast UV spectroscopy: from a local to a global view of dynamical processes in macromolecules
Andrea Cannizzo
Phys. Chem. Chem. Phys., Vol: 14, No: 32 , published: 28 August 2012
Computational studies of photophysical properties of porphin, tetraphenylporphyrin and tetrabenzoporphyrin
Rashid R. Valiev, Victor N. Cherepanov, Victor Ya. Artyukhov, Dage Sundholm
Phys. Chem. Chem. Phys., Vol: 14, No: 32 , published: 28 August 2012
Photochemical dynamics of indolylmaleimide derivatives
Tatsuhiro Murakami, Manabu Nakazono, Alexey Kondorskiy, Toshimasa Ishida, Shinkoh Nanbu
Phys. Chem. Chem. Phys., Vol: 14, No: 32 , published: 28 August 2012
One- and two-photon induced emission in heterobimetallic ZnII–SmIII and ZnII–TbIII complexes with a side-off compartmental ligand
Traian D. Pasatoiu, Augustin M. Madalan, Marian Zamfirescu, Carmen Tiseanu, Marius Andruh
Phys. Chem. Chem. Phys., Vol: 14, No: 32 , published: 28 August 2012
“Extra stabilisation” of a pyrene based molecular couple by γ-cyclodextrin in the excited electronic state
Prasun Ghosh, Soumik Mandal, Tarasankar Das, Arnab Maity, Parna Gupta, Pradipta Purkayastha
Phys. Chem. Chem. Phys., Vol: 14, No: 32 , published: 28 August 2012
Strong interactions between copper halides and unsaturated systems: new metallocycles? Or the importance of deformation
Goar Sánchez-Sanz, Ibon Alkorta, José Elguero, Manuel Yáñez, Otilia Mó
Phys. Chem. Chem. Phys., Vol: 14, No: 32 , published: 28 August 2012
Detailed spectroscopy of the Cs2 a 3Σu+ state and implications for measurements sensitive to variation of the electron-proton mass ratio
S. Sainis, J. Sage, E. Tiesinga, S. Kotochigova, T. Bergeman, and D. DeMille
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 21 August 2012
Evidence for excited state intramolecular charge transfer in benzazole-based pseudo-stilbenes
Fabiano da Silveira Santos, Rodrigo Roceti Descalzo, Paulo Fernando Bruno Gonçalves, Edilson Valmir Benvenutti, Fabiano Severo Rodembusch
Phys. Chem. Chem. Phys., Vol: 14, No: 31 , published: 21 August 2012
Excitation energies of retinal chromophores: critical role of the structural model
Omar Valsson, Celestino Angeli, Claudia Filippi
Phys. Chem. Chem. Phys., Vol: 14, No: 31 , published: 21 August 2012
Ultrafast charge-transfer dynamics of donor-substituted truxenones
Juliane Köhler, Tatjana Quast, Johannes Buback, Ingo Fischer, Tobias Brixner, Patrick Nuernberger, Barbara Geiß, Julian Mager, Christoph Lambert
Phys. Chem. Chem. Phys., Vol: 14, No: 31 , published: 21 August 2012
Complexation behavior of trivalent actinides and lanthanides with 1,10-phenanthroline-2,9-dicarboxylic acid based ligands: insight from density functional theory
Debashree Manna, Tapan K. Ghanty
Phys. Chem. Chem. Phys., Vol: 14, No: 31 , published: 21 August 2012
Ultrafast time resolved studies of the photochemistry of acyl and sulfonyl azides
Jacek Kubicki, Yunlong Zhang, Jiadan Xue, Hoi Ling Luk, Matthew Platz
Phys. Chem. Chem. Phys., Vol: 14, No: 30 , published: 14 August 2012
NIR emission of cyclic [4]rotaxanes containing π-extended porphyrin chromophores
Barbara Ventura, Lucia Flamigni, Jean-Paul Collin, Fabien Durola, Valérie Heitz, Felipe Reviriego, Jean-Pierre Sauvage, Yann Trolez
Phys. Chem. Chem. Phys., Vol: 14, No: 30 , published: 14 August 2012
Ultrafast nonradiative decay by hypoxanthine and several methylxanthines in aqueous and acetonitrile solution
Jinquan Chen, Bern Kohler
Phys. Chem. Chem. Phys., Vol: 14, No: 30 , published: 14 August 2012
Accurate spin–orbit and spin–other-orbit contributions to the g-tensor for transition metal containing systems
A. Van Yperen-De Deyne, E. Pauwels, V. Van Speybroeck, M. Waroquier
Phys. Chem. Chem. Phys., Vol: 14, No: 30 , published: 14 August 2012
Improving the calculation of electron paramagnetic resonance hyperfine coupling tensors for d-block metals
Erik D. Hedegård, Jacob Kongsted, Stephan P. A. Sauer
Phys. Chem. Chem. Phys., Vol: 14, No: 30 , published: 14 August 2012
Spectral multitude and spectral dynamics reflect changing conjugation length in single molecules of oligophenylenevinylenes
Hiroyuki Kobayashi, Kousuke Tsuchiya, Kenji Ogino, Martin Vacha
Phys. Chem. Chem. Phys., Vol: 14, No: 29 , published: 07 August 2012
Insights into the isomerization of photochromic oxazines from the excitation dynamics of BODIPY–oxazine dyads
Erhan Deniz, Mutlu Battal, Janet Cusido, Salvatore Sortino, Françisco M. Raymo
Phys. Chem. Chem. Phys., Vol: 14, No: 29 , published: 07 August 2012
Structure and stability of hexa-aqua V(III) cations in vanadium redox flow battery electrolytes
M. Vijayakumar, Liyu Li, Zimin Nie, Zhenguo Yang, JianZhi Hu
Phys. Chem. Chem. Phys., Vol: 14, No: 29 , published: 07 August 2012
Characterization of an activated iridium water splitting catalyst using infrared photodissociation of H2 tagged ions
Etienne Garand, Joseph A. Fournier, Michael Z. Kamrath, Nathan D. Schley, Robert H. Crabtree, Mark A. Johnson
Phys. Chem. Chem. Phys., Vol: 14, No: 29 , published: 07 August 2012
Reactions of Doubly Ionized Benzene with Nitrogen and Water: A Nitrogen-Mediated Entry into Superacid Chemistry
Christopher J. Shaffer, Detlef Schröder, Christian Alcaraz, Ján Žabka, Emilie-Laure Zins
ChemPhysChem., Vol: 13, No: 11 , published: 06 August 2012
Surface-Anchored MOF-Based Photonic Antennae
Huayna Cerqueira Streit, Matthias Adlung, Osama Shekhah, Xia Stammer, Hasan Kemal Arslan, Olexandra Zybaylo, Tatjana Ladnorg, Hartmut Gliemann, Matthias Franzreb, Christof Wöll, Claudia Wickleder
ChemPhysChem., Vol: 13, No: 11 , published: 06 August 2012
Essential State Model for Two-Photon Absorption Spectra of Polymethine Dyes
Cristina Sissa, Peyman Mohamadzadeh Jahani, Zoltán G. Soos, Anna Painelli
ChemPhysChem., Vol: 13, No: 11 , published: 06 August 2012
Lowest 1Σg and 1Σu states of the hydrogen molecule in strong magnetic fields: An application of the configuration-interaction method with Hylleraas-Gaussian basis set
Xuanyu Song, Haoxue Qiao, and Xiaofeng Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 01 August 2012
Cyanine-Like and Polyenic Relaxation Paths of Merocyanine Derivatives of Malonodinitrile in the Excited State Detecting by Low Temperature Time-Resolved Fluorescence
Sevryukova M.M., Piryatinski Yu.P., Vasylyuk S.V., Yashchuk V.M., Viniychuk O.O., Gerasov A.O., Slominskii Yu.L., Kachkovsky O.D.
Укр. фiз. ж., Vol: 57, No: 8 , published: 01 August 2012
Сопряженные кремний- и германийсодержащие полифлуоренэтинилены, синтезированные в сверхкритическом диоксиде углерода
М. Л. Кештов, Инпинг Цзоу, В. А. Барачевский, О. В. Венидиктова, Д. В. Марочкин, Д. Ю. Годовский, А. Р. Хохлов
Докл. РАН, Vol: 445, No: 4 , published: 01 August 2012
Synthesis, photochromic properties, and complex formation with metal ions of hydrazones based on a spiropyran of oxaindane series
L. D. Popov, I. A. Shcherbakov, A. O. Bulanov, E. Yu. Shasheva, Yu. N. Tkachenko, O. I. Kobeleva, T. M. Vyalova, V. A. Barachevskii
Ж. общ. химии, Vol: 82, No: 8 , published: 01 August 2012
Synthesis of Pyrene-Based Ester Dendrimers for Applications in Dye-Sensitized Solar Cells
Perumal Rajakumar, Kathiresan Visalakshi, Shanmugam Ganesan, Pichai Maruthamuthu, Samuel Austin Suthanthiraraj
Bull. Chem. Soc. Jpn., Vol: 85, No: 8 , published: 01 August 2012
Binding energies and structures of Ca-He2 weakly bound triatomic complexes
David López-Durán, Rocío Rodríguez-Cantano, Tomás González-Lezana, Gerardo Delgado-Barrio, Pablo Villarreal, and Franco A. Gianturco
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 2 , published: 01 August 2012
Synthesis and Characterization of a Tetracopper(II) Complex Having a [Cu44-O)] Framework Stabilized by the Tetranucleating Macrocyclic Ligand
Yuji Miyazato, Eiji Asato, Masaaki Ohba, Tohru Wada
Bull. Chem. Soc. Jpn., Vol: 85, No: 8 , published: 01 August 2012
Квантово-химическое моделирование механизма образования гидратов аммиака в процессе низкотемпературной кристаллизации при пониженном давлении
А. Н. Петухов, И. В. Воротынцев, С. В. Зеленцов, В. М. Воротынцев
Изв. РАН. Сер. хим., Vol: 2012, No: 8 , published: 01 August 2012
Реакции галогензамещенных N,N-диметил-1-фенилэтанаминов с арилборными кислотами, катализируемые палладием, как новый подход к синтезу биарилов с центральной и аксиальной хиральностью
И. Н. Шишкина, И. А. Доценко, В. М. Демьянович, Н. А. Бумагин, Н. С. Зефиров
Докл. РАН, Vol: 445, No: 6 , published: 01 August 2012
Реакция 2-бром-2-фенил-1,1-дихлорциклопропана с фенолами и спиртами
Э. К. Курбанкулиева, А. Н. Казакова, С. С. Злотский
Докл. РАН, Vol: 445, No: 4 , published: 01 August 2012
Комплексы ванадоцена с несимметричными алкиновыми лигандами [Cp2V(1-2η-R1C=CR2)]
Н. Л. Ермолаев, В. К. Черкасов
Изв. РАН. Сер. хим., Vol: 2012, No: 8 , published: 01 August 2012
Взаимодействие (E)-3-нитро-1,1,1-трихлорбут-2-ена с аминами: диастереоселективный синтез N-замещенных α-трихлорметил-β-нитроаминов
А. Ю. Барков, В. Ю. Коротаев, П. А. Слепухин, М. И. Кодесс, В. Я. Сосновских
Изв. РАН. Сер. хим., Vol: 2012, No: 8 , published: 01 August 2012
New derivatives obtained from ortho-isobornylphenols and 4,13-diaza-18-crown-6
E. V. Buravlev,I. Yu. Chukicheva, K. Yu. Suponitskii, A. V. Kutchin
Ж. общ. химии, Vol: 82, No: 8 , published: 01 August 2012
Shedding new light on the role of the Rydberg state in the photochemistry of aniline
Roman Spesyvtsev, Oliver M. Kirkby, Morgane Vacher and Helen H. Fielding
Phys. Chem. Chem. Phys., Vol: 14, No: 28 , published: 28 July 2012
Interplay between halogen bonds and π–π stacking interactions: CSD search and theoretical study
Haiying Li, Yunxiang Lu, Yingtao Liu, Xiang Zhu, Honglai Liu and Weiliang Zhu
Phys. Chem. Chem. Phys., Vol: 14, No: 28 , published: 28 July 2012
Новое направление в создании антиоксидантов на основе 3,5,7,3',4'-пентагидроксифлавона
Э. Е. Нифантьев, Е. Н. Мишина, А. Т. Телешев, А. Р. Сабиров, И.В. Станкевич, С. П. Солодовников
Докл. РАН, Vol: 445, No: 3 , published: 21 July 2012
Hydrogen abstraction from n-butanol by the methyl radical: high level ab initio study of abstraction pathways and the importance of low energy rotational conformers
D. Katsikadakos, Y. Hardalupas, A. M. K. P. Taylor and P. A. Hunt
Phys. Chem. Chem. Phys., Vol: 14, No: 27 , published: 21 July 2012
Silver cluster–biomolecule hybrids: from basics towards sensors
Vlasta Bonačić-Koutecký, Alexander Kulesza, Lars Gell, Roland Mitrić, Rodolphe Antoine, Franck Bertorelle, Ramzi Hamouda, Driss Rayane, Michel Broyer, Thibault Tabarin and Philippe Dugourd
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Gas-to-solid shift of C 1s-excited benzene
R. Flesch, E. Serdaroglu, F. Blobner, P. Feulner, X. O. Brykalova, A. A. Pavlychev, N. Kosugi and E. Rühl
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Coherent manipulation of free amino acids fluorescence
A. Rondi, L. Bonacina, A. Trisorio, C. Hauri and J.-P. Wolf
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
The electronic structure of Ge9[Si(SiMe3)3]3: a superantiatom complex
P. Andre Clayborne and Hannu Häkkinen
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Theoretical study of structural and optical properties of noble metal cluster–dipeptide hybrids at defect centers of MgO
Alexander Kulesza, Roland Mitrić and Vlasta Bonačić-Koutecký
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Excitation energies from relativistic coupled-cluster theory of general excitation rank: Initial implementation and application to the silicon atom and to the molecules XH (X = As, Sb, Bi)
Mickaël Hubert, Lasse K. Sørensen, Jeppe Olsen, and Timo Fleig
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 1 , published: 13 July 2012
Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state
Min-Wen Chung, Jia-Ling Liao, Kuo-Chun Tang, Cheng-Chih Hsieh, Tsung-Yi Lin, Chun Liu, Gene-Hsiang Lee, Yun Chi and Pi-Tai Chou
Phys. Chem. Chem. Phys., Vol: 14, No: 25 , published: 07 July 2012
On the fluorescence of methyl salicylate: the significance of its IMHB
J. Catalán
Phys. Chem. Chem. Phys., Vol: 14, No: 25 , published: 07 July 2012
Strategic emission color tuning of highly fluorescent imidazole-based excited-state intramolecular proton transfer molecules
Sanghyuk Park, Ji Eon Kwon and Soo Young Park
Phys. Chem. Chem. Phys., Vol: 14, No: 25 , published: 07 July 2012
Experimentally measured permanent dipoles induced by hydrogen bonding. The Stark spectrum of indole–NH3
Adam J. Fleisher, Justin W. Young and David W. Pratt
Phys. Chem. Chem. Phys., Vol: 14, No: 25 , published: 07 July 2012
Mimicking anaesthetic–receptor interaction: a combined spectroscopic and computational study of propofolphenol
Iker León, Judith Millán, Emilio J. Cocinero, Alberto Lesarri, Fernando Castaño and José A. Fernández
Phys. Chem. Chem. Phys., Vol: 14, No: 25 , published: 07 July 2012
Reaction of methyl 1-bromocyclohexanecarboxylate with zinc and 3-aryl-2-cyanopropenoic acids amides
N. F. Kirillov, E. A. Nikiforova, S. N. Shurov, P. A. Slepukhin, M. I. Vakhrin
Ж. общ. химии, Vol: 82, No: 7 , published: 01 July 2012
Modification of Alkaloid Structure in the Conium Drug with Fullerenes C60
Zabolotnyi M.A., Momot A.I., Dovbeshko G.I., Gnatyuk E.P., Solyanyk G.I., Dmytrenko O.P., Kulish N.P., Fedina K.V.
Укр. фiз. ж., Vol: 57, No: 7 , published: 01 July 2012
Новые реакции, функциональные соединения и материалы в ряду кумарина и его аналогов
В. Ф. Травень, А. В. Манаев, А. Ю. Бочков, Т. А. Чибисова, И. В. Иванов
Изв. РАН. Сер. хим., Vol: 2012, No: 7 , published: 01 July 2012
Synthesis and Properties of Mono-, Bis-, Tris-, and Tetrakis[1,1,4,4-tetracyano-2-(1-azulenyl)-1,3-butadien-3-yl] Chromophores Connected to a Benzene Ring by Phenylethynyl- and 2-Thienylethynyl Spacers
Taku Shoji, Mitsuhisa Maruyama, Shunji Ito, Noboru Morita
Bull. Chem. Soc. Jpn., Vol: 85, No: 7 , published: 01 July 2012
Synthesis and Properties of Tris-Fused Tetrathiafulvalene Analogues Possessing [3]Dendralene Moieties
Yoshihiro Kajiwara, Shojun Hino, Yohji Misaki
Bull. Chem. Soc. Jpn., Vol: 85, No: 7 , published: 01 July 2012
Protolytic and complexing properties of hetarylhydrazones derived from o-tosylaminobenzaldehyde
L. D. Popov, O. I. Askalepova, E. B. Kaimakan, Yu. P. Tupolova, I. N. Shcherbakov, S. I. Levchenkov, V. V. Lukov, O. V. Maevskii, V. A. Kogan, A. S. Burlov, A. A. Zubenko
Ж. общ. химии, Vol: 82, No: 7 , published: 01 July 2012
Spectral and complex-forming properties of β-bromo-substituted porphyrins in N,N-dimethylformamide
O. V. Mal’tseva, N. V. Chizhova, N. Zh. Mamardashvili
Ж. общ. химии, Vol: 82, No: 7 , published: 01 July 2012
Synthesis and properties of (1,2,3,7,9-pentamethyldipyrrolylmethen-8-yl)-(1,2,3,7,8-pentamethyldipyrrolylmethen-9-yl)methane and bis(1,2,3,7,9-pentamethyldipyrrolylmethen-8-yl)trifluoromethylmethane dihydrobromides
M. B. Berezin, A. S. Semeikin, S. L. Yutanova, E. V. Antina, G. B. Guseva, A. I. V’yugin
Ж. общ. химии, Vol: 82, No: 7 , published: 01 July 2012
Анаэробное окисление метана и его гомологов в присутствии соединений золота
А. Ф. Шестаков, А. К. Шилова, А. П. Садков, Н. В. Ларионцева, С. А. Голованова, Л. А. Левченко, А. Е. Шилов
Докл. РАН, Vol: 445, No: 1 , published: 01 July 2012
Lanthanide complexes with alkylsulfamoyl-substituted octaphenyltetraazaporphyrins
T. A. Rumyantseva, V. P. Kulinich, G. P. Shaposhnikov
Ж. общ. химии, Vol: 82, No: 7 , published: 01 July 2012
Kinetic stability of complexes of some d-metals with 3,3′-bis(dipyrrolylmethene) in the binary proton-donor solvent acetic acid-benzene
L. A. Antina, G. B. Guseva, A. I. V’yugin, E. V. Antina
Ж. общ. химии, Vol: 82, No: 7 , published: 01 July 2012
Synthesis and some transformations of 2-(2-thienyl)-1(3)H-imidazo[4,5-f] quinoline
A. A. Aleksandrov, M. M. El’chaninov, A. S. Dedeneva
Ж. общ. химии, Vol: 82, No: 7 , published: 01 July 2012
Vibrationally resolved N 1s absorption spectra of the acrylonitrile molecule
Vita Ilakovac, Ymène Houari, Stéphane Carniato, Jean-Jacques Gallet, Edwin Kukk, and Davor Horvatić
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 29 June 2012
Are lithium and sodium salts of N-(2-hydroxyphenyl)-salicylaldimine aromatic metalla-hetero[10]annulenes? An answer given by spatial magnetic properties (through space NMR shieldings—TSNMRS)
Erich Kleinpeter and Andreas Koch
Phys. Chem. Chem. Phys., Vol: 14, No: 24 , published: 28 June 2012
An interpretation of the absorption and emission spectra of the gold dimer using modern theoretical tools
K. R. Geethalakshmi, Fernando Ruipérez, Stefan Knecht, Jesus M. Ugalde, Michael D. Morse and Ivan Infante
Phys. Chem. Chem. Phys., Vol: 14, No: 24 , published: 28 June 2012
Ionization energies and structures of lithium doped silicon clusters
Jorg De Haeck, Soumen Bhattacharyya, Hai Thuy Le, David Debruyne, Nguyen Minh Tam, Vu Thi Ngan, Ewald Janssens, Minh Tho Nguyen and Peter Lievens
Phys. Chem. Chem. Phys., Vol: 14, No: 24 , published: 28 June 2012
Formation of Chiral Environments by a Mechanical Induced Vortex Flow
Kunihiko Okano,  Takashi Yamashita
ChemPhysChem., Vol: 13, No: 9 , published: 18 June 2012
Photocurrent Response of Surface-Functionalized Metal Oxides with Well-Matched Energy Levels: From Nothing to Something
Shengxue Yang, Huiyan Ma, Yunqing Luo, Jian Gong
ChemPhysChem., Vol: 13, No: 9 , published: 18 June 2012
On the Electrochemistry and Spectroelectrochemistry of Small Model Star-Shaped Compounds: 1,3,5-Triaryl-1-Methoxybenzenes and 2,4,6-Triaryl-1,3,5-Trimethoxybenzenes
Peter Rapta , Vladimír Lukeš ,  Krzysztof R. Idzik ,  Rainer Beckert, Lothar Dunsch
ChemPhysChem., Vol: 13, No: 9 , published: 18 June 2012
IR and IR + UV spectroscopy of isolated [Al–AcPheOMe]n+ cluster cations (n = 1, 3)
P. M. Bialach, T. C. Martin and M. Gerhards
Phys. Chem. Chem. Phys., Vol: 14, No: 22 , published: 14 June 2012
The effect of metal cations on the nature of the first electronic transition of liquid water as studied by attenuated total reflection far-ultraviolet spectroscopy
Takeyoshi Goto, Akifumi Ikehata, Yusuke Morisawa, Noboru Higashi and Yukihiro Ozaki
Phys. Chem. Chem. Phys., Vol: 14, No: 22 , published: 14 June 2012
Conformational dynamics of di-(perylene bisimide acrylate) and its footprints in steady-state, time-resolved, and fluorescence-correlation spectroscopy
Florian Spreitler, Michael Sommer, Mukundan Thelakkat and Jürgen Köhler
Phys. Chem. Chem. Phys., Vol: 14, No: 22 , published: 14 June 2012
Fixed node diffusion Monte Carlo using a genetic algorithm: a study of the CO–4HeN complex, N = 1…10
Jordan A. Ramilowski and David Farrelly
Phys. Chem. Chem. Phys., Vol: 14, No: 22 , published: 14 June 2012
A B3LYP-DBLOC empirical correction scheme for ligand removal enthalpies of transition metal complexes: parameterization against experimental and CCSD(T)-F12 heats of formation
Thomas F. Hughes, Jeremy N. Harvey and Richard A. Friesner
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Energy analysis of weak electron-donor–acceptor complexes and water clusters with the perturbation theory based on the locally projected molecular orbitals: charge-transfer and dispersion terms
Suehiro Iwata
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Systematic fragmentation of large molecules by annihilation
Michael A. Collins
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Auger decay in the field of a positive charge
Vitali Averbukh, Ulf Saalmann, and Jan Michael Rost
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 06 June 2012
Ionization of He by C6+, 6−, e, and e+
H. R. J. Walters and Colm T. Whelan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 6 , published: 05 June 2012
Photoinduced Electron Transfer in a Ferrocene–Distyryl BODIPY Dyad and a Ferrocene–Distyryl BODIPY–C60 Triad
Jian-Yong Liu,  Mohamed E. El-Khouly,  Shunichi Fukuzumi, Dennis K. P. Ng
ChemPhysChem., Vol: 13, No: 8 , published: 04 June 2012
A Special Conjugated Model around sp3 Carbon Atoms: Density Functional Theory Study on the Homoaromatic Electron Delocalization and Applications of Benzo-Fused Tetra(triptycene)porphyrins
Dongdong Qi, Lijuan Zhang, Luyang Zhao,  Xue Cai,  Jianzhuang Jiang
ChemPhysChem., Vol: 13, No: 8 , published: 04 June 2012
Acene-Modified Triphenylamine Dyes for Dye-Sensitized Solar Cells: A Computational Study
Wenjie Fan, Dazhi Tan, Wei-Qiao Deng
ChemPhysChem., Vol: 13, No: 8 , published: 04 June 2012
Some Evidence for the Formation of an Azo Bond during the Electroreduction of Diazonium Salts on Au Substrates
Alejandra M. Ricci,  Lucila P. Méndez De Leo,  Federico J. Williams, Ernesto J. Calvo
ChemPhysChem., Vol: 13, No: 8 , published: 04 June 2012
Bonding of Gold with Unsaturated Species
Paola Nava,  Denis Hagebaum-Reignier, Stéphane Humbel
ChemPhysChem., Vol: 13, No: 8 , published: 04 June 2012
Theoretical Study on the Photocyclization Mechanism of Diarylethenes with Transition-Metal Substituents
Makoto Hatakeyama, Satoshi Yokojima, Keiko Shinoda, Takashi Koike, Munetaka Akita,  Shinichiro Nakamura
Bull. Chem. Soc. Jpn., Vol: 85, No: 6 , published: 01 June 2012
Synthesis and Properties of Anthrylene-Substituted Phenyleneethynylene Dyes Having Amino/Cyano Group(s) and Their Application to Dye-Sensitized Solar Cells
Xin Yang, Shingo Kajiyama, Jing-Kun Fang, Feng Xu, Yu Uemura, Nagatoshi Koumura, Kohjiro Hara, Akihiro Orita, Junzo Otera
Bull. Chem. Soc. Jpn., Vol: 85, No: 6 , published: 01 June 2012
Synthesis, spectral, thermal, catalytic and biological studies of some transition metal complexes with unsymmetrical Schiff base ligand
Gaurav B. Pethe, Amit R. Yaul, Anand S. Aswar
J. Indian Chem. Soc., Vol: 89, No: 6 , published: 01 June 2012
Synthesis, characterization and biological activity of metal complexes with 4-aminoantipyrine Schiff bases of 5-chloro salicylaldehyde and 3-ethoxy salicylaldehyde
B. Anupamaa, K. Mounikaa, M. Sunithaa, C. Gyana Kumaria,  Ch. Venkata Ramana Reddyb
J. Indian Chem. Soc., Vol: 89, No: 6 , published: 01 June 2012
Investigation on ternary complex formation between maltol and dipeptides with CoII, NiII and ZnII; Potentiometric, synthetic and antibacterial studies
K. Ravikiran, Ch. Saraladevi, P. Ettaiah
J. Indian Chem. Soc., Vol: 89, No: 6 , published: 01 June 2012
Sensitive microspectrophotometric determination of thorium(IV) and uranium(VI) with pyrogallol red in presence of cationic surfactant
A. B. Zadea, P. P. Kalbendea, A. B. Upaseb, G. W. Belsare
J. Indian Chem. Soc., Vol: 89, No: 6 , published: 01 June 2012
Synthesis and characterisation of a novel copper(II) complex of the tridentate Schiff base derived from salicylaldehyde and valine
Rajib Lal De, Jaydeep Mukherjee, Mahuya Mandal, Lovely Roy, Rajib Kumar De
J. Indian Chem. Soc., Vol: 89, No: 6 , published: 01 June 2012
Новые гетерохелатные комплексы оксованадия(IV): синтез, строение, спектры ЭПР и фотолюминесцентные свойства
Е. С. Бажина, М. Е. Никифорова, Г. Г. Александров, Н. Н. Ефимов, Е. А. Уголкова, В. В. Минин, С. А. Козюхин, А. А. Сидоров, В. М. Новоторцев, И. Л. Еременко
Изв. РАН. Сер. хим., Vol: 2012, No: 6 , published: 01 June 2012
Coordination compounds of Schiff base containing urea moiety
D. Kumara, Arun Syamalb, A. Guptaa, V. Pandeyc, Mukesh Ranid
J. Indian Chem. Soc., Vol: 89, No: 6 , published: 01 June 2012
Evaluation of stability constants of consecutive ternary complex equilibria in aqueous and aqua-dioxan media
K. V. Santhee Devi , B. Rama Raju, G. Nageswara Rao
J. Indian Chem. Soc., Vol: 89, No: 6 , published: 01 June 2012
Синтез, структура, твердофазный термолиз и каталитические свойства комплексов биядерных цимантренкарбоксилатов Ce, Nd, Eu и Gd с ДМСО
П. С. Коротеев, Ж. В. Доброхотова, А. Б. Илюхин, К. П. Бирин, М. С. Моторнова, В. М. Новоторцев
Изв. РАН. Сер. хим., Vol: 2012, No: 6 , published: 01 June 2012
Triterpene constituents and antibacterial activity of the stems of Reissantia grahamii
Amarendra Patraa, Sumana Ghosha, Sajal Kumar Bandyopadhyaya, Prasanta Kumar Bagb, Poulami Bhowmikb, Ethirajan Sukumarc
J. Indian Chem. Soc., Vol: 89, No: 6 , published: 01 June 2012
Dehydrobromination and debromination of 2,2,7a-tribromocholest-4-en-3,6-dione
Pranab Ghosh, Utpal Debnath, B. P. Pradhan
J. Indian Chem. Soc., Vol: 89, No: 6 , published: 01 June 2012
Microwave assisted one pot 1,3-dipolar cycloaddition reactions of novel dihydropyran derived nitrone
Bhaskar Chakraborty, Prawin Kumar Sharma
J. Indian Chem. Soc., Vol: 89, No: 6 , published: 01 June 2012
Внутримолекулярная циклизация S-алкилпроизводных аминомеркаптоимидазолов и бензимидазолов как метод аннелирования тиадиазинового цикла
Н. И. Гапоненко, А. А. Колодина, А. В. Лесин, С. В. Курбатова
Изв. РАН. Сер. хим., Vol: 2012, No: 6 , published: 01 June 2012
Особенности реакций конденсированных бензодиазепинов с алкинами, содержащими электроноакцепторные группы
Л. Г. Воскресенский, Т. Н. Борисова, М. И. Бабаханова, С. В. Акбулатов, А. С. Царькова, А. А. Титов, В. Н. Хрусталев, А. В. Варламова
Изв. РАН. Сер. хим., Vol: 2012, No: 6 , published: 01 June 2012
Синтез азецино[5,4- b]индолов и индоло[3,2- e][2]бензазонинов тандемной трансформацией гидрированных индолохинолизинов и индолизинов
Л. Г. Воскресенский, Т. Н. Борисоваа А. А. Титов, А. В. Листратова, Л. Н. Куликова, А. В. Варламов, В. Н. Хрусталев, Г. Г. Александров
Изв. РАН. Сер. хим., Vol: 2012, No: 6 , published: 01 June 2012
Сдваивание метиленактивных соединений через метиленовый мостик с помощью бис(диметиламино)метана Сообщение 1. Синтез 2,4-бис(дифенилфосфорил)глутаронитрила
Ю. Г. Гололобов, С. В. Барабанов, А. С. Перегудов, П. В. Петровский, В. Н. Хрусталев
Изв. РАН. Сер. хим., Vol: 2012, No: 6 , published: 01 June 2012
Vibrational manifestations of strong non-Condon effects in the H3O+·X3 (X = Ar, N2, CH4, H2O) complexes: A possible explanation for the intensity in the “association band” in the vibrational spectrum of water
Anne B. McCoy, Timothy L. Guasco, Christopher M. Leavitt, Solveig G. Olesen and Mark A. Johnson
Phys. Chem. Chem. Phys., Vol: 14, No: 20 , published: 28 May 2012
Flavin as a photo-active acceptor for efficient energy and charge transfer in a model donor–acceptor system
Xi Yu, Serkan Eymur, Vijay Singh, Boqian Yang, Murat Tonga, Amarnath Bheemaraju, Graeme Cooke, Chandramouleeswaran Subramani, Dhandapani Venkataraman, Robert J. Stanley and Vincent M. Rotello
Phys. Chem. Chem. Phys., Vol: 14, No: 19 , published: 21 May 2012
A theoretical study on photomagnetic fluorescent protein chromophore coupled diradicals and their possible applications
Debojit Bhattacharya, Anirban Panda, Suranjan Shil, Tamal Goswami and Anirban Misra
Phys. Chem. Chem. Phys., Vol: 14, No: 19 , published: 21 May 2012
Solvatochromic investigation of highly fluorescent 2-aminobithiophene derivatives
Andréanne Bolduc, Yanmei Dong, Amélie Guérin and W. G. Skene
Phys. Chem. Chem. Phys., Vol: 14, No: 19 , published: 21 May 2012
Vibrational spectroscopy and molecular dynamics of water monomers and dimers adsorbed on polycyclic aromatic hydrocarbons
Aude Simon, Mathias Rapacioli, Joëlle Mascetti and Fernand Spiegelman
Phys. Chem. Chem. Phys., Vol: 14, No: 19 , published: 21 May 2012
Theoretical study of triatomic silver (Ag3) and its ions with coupled-cluster methods and correlation-consistent basis sets
Ming-Ju Huang and John D. Watts
Phys. Chem. Chem. Phys., Vol: 14, No: 19 , published: 21 May 2012
Two-dimensional 14N HYSCORE spectroscopy of the coordination geometry of ligands in dimanganese di-μ-oxo mimics of the oxygen evolving complex of photosystem II
Ruchira Chatterjee, Sergey Milikisiyants and K. V. Lakshmi
Phys. Chem. Chem. Phys., Vol: 14, No: 19 , published: 21 May 2012
Bonding and structure of disilenes and related unsaturated group-14 element compounds
Mitsuo Kira
Proc. Jap. Acad. B, Vol: 88, No: 5 , published: 11 May 2012
Observation of the fine structure for rovibronic spectral lines in the visible part of emission spectra of D2
B. P. Lavrov, I. S. Umrikhin, and A. S. Zhukov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 5 , published: 09 May 2012
Исследование нечетных электронных состояний молекул Хе2 в области Xe*(5p56p, 5d, 7s, 6d) методом резонансной многофотонной ионизации
М. А. Ходорковский, А. А. Беляева, Л. П. Ракчеева, П. Ю. Сердобинцев, А. С. Мельников, И. А. Шевкунов, Н. А. Тимофеев, А. А. Пастор
Оптика и спектроскопия, Vol: 112, No: 5 , published: 01 May 2012
Влияние галогензамещения на структуру и электронные спектры флуороновых красителей
Е. А. Слюсарева, Ф. Н. Томилин, А. Г. Сизых, Е. Ю. Танкевич, А. А. Кузубов, С. Г. Овчинников
Оптика и спектроскопия, Vol: 112, No: 5 , published: 01 May 2012
Эффекты длинноволнового возбуждения флуоресценции в жидких растворах N,N'-диметиламинобензонитрила
В. И. Томин, К. Хубиш
Оптика и спектроскопия, Vol: 112, No: 5 , published: 01 May 2012
U(2) Lie Algebraic Study of Vibrational Spectra of Fullerene C80 and Its Epoxide C80–O
Sen R., Kalyan A., Paul R.S., Das R., Choudhury J., Sarkar N.K., Bhattacharjee R.
Укр. фiз. ж., Vol: 57, No: 5 , published: 01 May 2012
Энергетический спектр и оптические переходы в фуллерене С 70
Мурзашев А.И.
Изв. вузов. Физ., Vol: 55, No: 5 , published: 01 May 2012
Спектрально-люминесцентные, фотохимические и лазерные свойства ряда борфторидных комплексов дипирролилметенов в растворах
Р. Т. Кузнецова, Ю. В. Аксенова, Е. Н. Тельминов, Л. Г. Самсонова, Г. В. Майер, Т. Н. Копылова, С. Л. Ютанова, Е. В. Антина, М. Б. Березин, Г. Б. Гусева
Оптика и спектроскопия, Vol: 112, No: 5 , published: 01 May 2012
Синтез и строение арил(гетарил)спиропирролидонов
В. М. Берестовицкая, И. А. Литвинов, О. С. Васильева, А. А. Никоноров, Е. С. Остроглядов, Д. Б. Криволапов
Изв. РАН. Сер. хим., Vol: 2012, No: 5 , published: 01 May 2012
(X)1 1 Σ+ state of LiNa studied by Fourier-transform spectroscopy
Michael Steinke, Horst Knöckel, and Eberhard Tiemann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 27 April 2012
Probing the Electronic Structure and Photoactivation Process of Nitrogen-Doped TiO2 Using DRS, PL, and EPR
Zizhong Zhang, Jinlin Long, Xiuqiang Xie, Huan Lin, Yangen Zhou, Rusheng Yuan, Wenxin Dai, Zhengxin Ding,  Xuxu Wang,  Xianzhi Fu
ChemPhysChem., Vol: 13, No: 6 , published: 23 April 2012
Isolated β-Turn Model Systems Investigated by Combined IR/UV Spectroscopy
Kirsten Schwing, Holger Fricke,  Kristina Bartl,  Jolanta Polkowska,  Thomas Schrader,  Markus Gerhards
ChemPhysChem., Vol: 13, No: 6 , published: 23 April 2012
Сопряженные поли(фторалкилэфиртиофены), синтезированные в сверхкритическом диоксиде углерода
М. Л. Кештов, А. М. Лопатин, Д. В. Марочкин, Фанг-Чунг Чен ,  А. Р. Хохлов
Докл. АН(Россия), Vol: 443, No: 5 , published: 11 April 2012
Fluorescence Properties of Carba Nicotinamide Adenine Dinucleotide for Glucose Sensing
Alexa von Ketteler, Dirk-Peter Herten, Wolfgang Petrich
ChemPhysChem., Vol: 13, No: 5 , published: 10 April 2012
The Beryllium Pentamer: Trailing an Uneven Sequence of Dissociation Energies
Peter N. Ascik, René Rugango, Andrew C. Simmonett, Katherine R. Compaan, Henry F. Schaefer III
ChemPhysChem., Vol: 13, No: 5 , published: 10 April 2012
Spectroscopic studies on the photoinduced changes in some ferrocene derivatives in halocarbon solvents
A. Thander, B. Mallik
Indian J. Phys., Vol: 86, No: 6 , published: 01 April 2012
Synthesis and spectral properties of merocyanine dyes based on fluorene and its derivatives
I. V. Kurdyukova, N. A. Derevyanko, A. A. Ishchenko, D. D. Mysyk
Ж. общ. химии, Vol: 82, No: 4 , published: 01 April 2012
Межфрагментная передача электронных эффектов π-акцепторных лигандов в гетерометаллических триадных комплексах с центральным звеном trans-[Ru(Py)4(CN)2]
А. Б. Никольский, Ю. С. Варшавский, Т. Г. Черкасова, И. С. Подкорытов, В. А. Гиндин
Изв. РАН. Сер. хим., Vol: 2012, No: 4 , published: 01 April 2012
Luminescence and magnetic properties of europium(III) nitrate complex with 1,10-phenanthroline
I. V. Kalinovskaya, I. A. Tkachenko, A. G. Mirochnik, V. E. Karasev, V. Ya. Kavun
Ж. общ. химии, Vol: 82, No: 4 , published: 01 April 2012
Acid-base interaction of octaaryltetraazaporphyrin complexes in a proton-donor medium
O. G. Khelevina, N. V. Chizhova, A. S. Malyasova, E. A. Kokareva
Ж. общ. химии, Vol: 82, No: 4 , published: 01 April 2012
Sandwich complexes of yttrium, neodymium, gadolinium, and dysprosium with meso-trans-di(hexadecyl)-tetrabenzoporphyrin and phthalocyanine fragments. Synthesis and spectral properties
N. E. Galanin, G. P. Shaposhnikov
Ж. общ. химии, Vol: 82, No: 4 , published: 01 April 2012
Study of the coordination properties of cobalt 5,15-di(ortho-nitrophenyl)-2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrinate in the reaction with nitrogen organic bases
S. V. Zaitseva, S. A. Zdanovich, O. I. Koifman
Ж. общ. химии, Vol: 82, No: 4 , published: 01 April 2012
Квантово-химическое исследование гидрирования боразина и полиборазинов в присутствии кислот Льюиса
А. С. Лисовенко, А. Ю. Тимошкин
Изв. РАН. Сер. хим., Vol: 2012, No: 4 , published: 01 April 2012
Региоизомерные 4 -амино- и 6- аминопиразоло[3,4 -b]пиридины: синтез и определение строения с использованием спектроскопии ЯМР и РСА
А. А. Петров, А. Н. Касаточкин, Е. Е. Емелина, М. Хаукка
Изв. РАН. Сер. хим., Vol: 2012, No: 4 , published: 01 April 2012
Synthesis of bromine-substituted cyclohexenylphosphonates
K. S. Titov, N. I. Svintsitskaya, B. I. Ionin
Ж. общ. химии, Vol: 82, No: 4 , published: 01 April 2012
Synthesis and transformations of new 3-oxo(thioxo)-1-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxylic acid derivatives
I. V. Dyachenko, M. V. Vovk
Ж. общ. химии, Vol: 82, No: 4 , published: 01 April 2012
Extraction and complexation of copper(II) with para-tert-butylbenzhydrazide and its N′,N′-dimethyl derivative
V. Yu. Gusev, D. A. Muksinova, A. V. Radushev
Ж. общ. химии, Vol: 82, No: 4 , published: 01 April 2012
Mukaiyama reagents in the synthesis of (E)-2-(1H-benzo[d]imidazol-2-yl)-2-[1-alkylpyridin-2(1H)ylidene]acetonitriles and their further electronic rearrangements effected by the action of acids and alkylating agents
T. A. Saraeva, G. E. Khoroshilov, R. I. Zubatyuk, O. V. Shishkin
Ж. общ. химии, Vol: 82, No: 4 , published: 01 April 2012
Chemical asymmetry and α and β polarizabilities of D-A-D′ chromophores: a three-state-model and TDDFT-SOS analysis of a penta-heptamethine ketocyanine
Glauco Ponterini, Davide Vanossi and Fabio Momicchioli
Phys. Chem. Chem. Phys., Vol: 14, No: 12 , published: 28 March 2012
Multi-structural variational transition state theory: kinetics of the 1,5-hydrogen shift isomerization of the 1-butoxyl radical including all structures and torsional anharmonicity
Xuefei Xu, Ewa Papajak, Jingjing Zheng and Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 14, No: 12 , published: 28 March 2012
Deciphering the role of pH in the binding of Ciprofloxacin Hydrochloride to Bovine Serum Albumin
Uttam Anand, Lisha Kurup and Saptarshi Mukherjee
Phys. Chem. Chem. Phys., Vol: 14, No: 12 , published: 28 March 2012
Calculation of transition dipole moment in fluorescent proteins—towards efficient energy transfer
Tamar Ansbacher, Hemant Kumar Srivastava, Tamar Stein, Roi Baer, Maarten Merkx and Avital Shurki
Phys. Chem. Chem. Phys., Vol: 14, No: 12 , published: 28 March 2012
The stability of the acetic acid dimer in microhydrated environments and in aqueous solution
Hasan Pašalić, Daniel Tunega, Adélia J. A. Aquino, Georg Haberhauer, Martin H. Gerzabek and Hans Lischka
Phys. Chem. Chem. Phys., Vol: 14, No: 12 , published: 28 March 2012
An accurate density functional theory based estimation of pKa values of polar residues combined with experimental data: from amino acids to minimal proteins
Toru Matsui, Takeshi Baba, Katsumasa Kamiya and Yasuteru Shigeta
Phys. Chem. Chem. Phys., Vol: 14, No: 12 , published: 28 March 2012
Chemisorption-induced gap states at organic–metal interfaces: benzenethiol and benzeneselenol on metal surfaces
Masaru Aoki, Toyohiro Kamada, Keita Sasaki, Shigeru Masuda and Yoshitada Morikawa
Phys. Chem. Chem. Phys., Vol: 14, No: 12 , published: 28 March 2012
Pulsed EPR characterization of encapsulated atomic hydrogen in octasilsesquioxane cages
George Mitrikas
Phys. Chem. Chem. Phys., Vol: 14, No: 11 , published: 21 March 2012
Infrared predissociation of ternary cluster cations: the solvent effects on the branching ratio
Md. Alauddin, Jae Kyu Song, Joong Chul Choe and Seung Min Park
Phys. Chem. Chem. Phys., Vol: 14, No: 11 , published: 21 March 2012
Probing the Electronic State of a Single Coronene Molecule by the Emission from Proximate Fluorophores
Dr. Burkhard Fückel, Dr. Gerald Hinze, Prof. Dr. Jishan Wu, Prof. Dr. Klaus Müllen and Prof. Dr. Thomas Basché
ChemPhysChem., Vol: 13, No: 4 , published: 19 March 2012
Theoretical Investigation of the Reaction of Yttrium Cation with Acetone
Guo-Liang Dai, Yong Wang, Jun-Yong Wu, Chuan-Feng Wang, Qi-Zhong Zhou
Z. phys. Chem., Vol: 226, No: 3 , published: 16 March 2012
Simulation of the infrared predissociation spectra of H5 +
Alfredo Aguado, Cristina Sanz-Sanz, Pablo Villarreal, and Octavio Roncero
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 16 March 2012
A femtosecond fluorescence study of vibrational relaxation and cooling dynamics of UV dyes
Olivier Braem, Thomas J. Penfold, Andrea Cannizzo,  Majed Chergui
Phys. Chem. Chem. Phys., Vol: 14, No: 10 , published: 14 March 2012
Functionalized corannulene cations: a detailed theoretical survey
Andrey Yu. Rogachev, Alexander S. Filatov, Alexander V. Zabula,  Marina A. Petrukhina
Phys. Chem. Chem. Phys., Vol: 14, No: 10 , published: 14 March 2012
Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chirality
Na Lin, Harald Solheim, Kenneth Ruud, Marcel Nooijen, Fabrizio Santoro, Xian Zhao, Marcin Kwit,  Pawel Skowronek
Phys. Chem. Chem. Phys., Vol: 14, No: 10 , published: 14 March 2012
Политопный дипиколиламиновый комплекс цинка, содержащий фрагмент ферроцена, – новый ингибитор липоксигеназы lox I-B
Е. Р. Милаева, Н. Н. Мелешонкова, Д. Б. Шпаковский, В. В. Павловец, С. И. Орлова, Д. И. Осолодкин, В. А. Палюлин, С. В. Логинов, П. А. Стороженко, Н. С. Зефиров
Докл. АН(Россия), Vol: 443, No: 2 , published: 11 March 2012
Theoretical study of photo-physical properties of indolylmaleimide derivatives
ZiLong Zheng, Yi Zhao, Manabu Nakazono and Shinkoh Nanbu
Phys. Chem. Chem. Phys., Vol: 14, No: 9 , published: 07 March 2012
Dissociation energies of X–H bonds in amino acids
Benjamin N. Moore and Ryan R. Julian
Phys. Chem. Chem. Phys., Vol: 14, No: 9 , published: 07 March 2012
Size resolved infrared spectroscopy of Na(CH3OH)n (n = 4–7) clusters in the OH stretching region: unravelling the interaction of methanol clusters with a sodium atom and the emergence of the solvated electron
Richard M. Forck, Christoph C. Pradzynski, Sabine Wolff, Milan Ončák, Petr Slavíček and Thomas Zeuch
Phys. Chem. Chem. Phys., Vol: 14, No: 9 , published: 07 March 2012
Towards the production of ultracold ground-state RbCs molecules: Feshbach resonances, weakly bound states, and the coupled-channel model
Tetsu Takekoshi, Markus Debatin, Raffael Rameshan, Francesca Ferlaino, Rudolf Grimm, Hanns-Christoph Nägerl, C. Ruth Le Sueur, Jeremy M. Hutson, Paul S. Julienne, Svetlana Kotochigova, and Eberhard Tiemann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 05 March 2012
Erratum: Quantum defects of nonpenetrating Rydberg states of the SO molecule in adiabatic and nonadiabatic regions of the spectrum [Phys. Rev. A 85, 022509 (2012)]
Dmitry L. Dorofeev, Sergei V. Elfimov, and Boris A. Zon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 05 March 2012
Ionization potentials and electron affinities from reduced-density-matrix functional theory
E. N. Zarkadoula, S. Sharma, J. K. Dewhurst, E. K. U. Gross, and N. N. Lathiotakis
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 3 , published: 05 March 2012
Влияние фторзамещения в этильных звеньях 1,4-дистирилбензола на тонкоструктурные спектры возбуждения и флуоресценции
И. А. Васильева, Н. А. Войтова, Р. Н. Нурмухаметов
Оптика и спектроскопия, Vol: 112, No: 3 , published: 01 March 2012
Intramolecular charge transfer reaction in 3-amino-4-methyl benzoic acid: a study from condensed phase to jet-cooled molecular beam
S. Ghosh, B. K. Paul, A. Chakraborty, D. N. Nath, N. Guchhait
Indian J. Phys., Vol: 86, No: 3 , published: 01 March 2012
5,15-diaminotetrabenzoporphyrins: Synthesis and spectral properties
L. A. Yakubov, N. E. Galanin, G. P. Shaposhnikov
Ж. общ. химии, Vol: 82, No: 3 , published: 01 March 2012
Synthesis, physicochemical and coordination properties of 5,15-diphenyltetramethyltetraethylporphyn nitro derivatives
E. M. Kuvshinova, A. S. Semeikin, E. A. Kolodina, S. A. Syrbu, O. A. Golubchikov
Ж. общ. химии, Vol: 82, No: 3 , published: 01 March 2012
Quantum-chemical calculation of electrooptical properties of vanillin tautomers
S. G. Semenov, M. V. Makarova
Ж. общ. химии, Vol: 82, No: 3 , published: 01 March 2012
Validated spectrophotometric method for the determination, spectroscopic characterization and thermal structural analysis of duloxetine with l,2-naphthoquinone-4-sulphonate
Sevgi Tatar Ulu, Fikriye Tuncel Elmali
Оптика и спектроскопия, Vol: 112, No: 3 , published: 01 March 2012
Synthesis and luminescence-spectral properties of benzoheterocyclic β-diketones and their complexes with europium
T. S. Kostryukova, N. P. Ivanovskaya, A. I. Lyamin, D. V. Romanov, N. S. Osin, G. V. Zatonsky, N. V. Vasil’ev
Ж. общ. химии, Vol: 82, No: 3 , published: 01 March 2012
Mass analyzed threshold ionization (MATI) spectroscopy of p-cresol
P. R. Shirhatti, S. Wategaonkar
Indian J. Phys., Vol: 86, No: 3 , published: 01 March 2012
Synthesis and structure of 2-amino-1-benzyl-4-methylthio-6-oxo-N-phenyl-5-cyano-1,6-dihydropyridin-3-ylcarboxamide
V. D. Dyachenko, O. S. Bityukova
Ж. общ. химии, Vol: 82, No: 3 , published: 01 March 2012
Photophysics of aminophenyl substituted pyrrolopyrrole cyanines
Simon Wiktorowski, Georg M. Fischer, Martin J. Winterhalder, Ewald Daltrozzo and Andreas Zumbusch
Phys. Chem. Chem. Phys., Vol: 14, No: 8 , published: 28 February 2012
Tunable double photochromism of a family of bis-DTE bipyridine ligands and their dipolar Zn complexes
Lucie Ordronneau, Vincent Aubert, Rémi Métivier, Eléna Ishow, Julien Boixel, Keitaro Nakatani, Fatima Ibersiene, Dalila Hammoutène, Abdou Boucekkine, Hubert Le Bozec and Véronique Guerchais
Phys. Chem. Chem. Phys., Vol: 14, No: 8 , published: 28 February 2012
Photoinduced electron transfer in covalent ruthenium–anthraquinone dyads: relative importance of driving-force, solvent polarity, and donor–bridge energy gap
Jihane Hankache and Oliver S. Wenger
Phys. Chem. Chem. Phys., Vol: 14, No: 8 , published: 28 February 2012
Characterization of electron donor sites on Al2O3 surface
Dmitrii A. Medvedev, Alexandra A. Rybinskaya, Roman M. Kenzhin, Alexander M. Volodin and Alexander F. Bedilo
Phys. Chem. Chem. Phys., Vol: 14, No: 8 , published: 28 February 2012
Fully relativistic coupled cluster and DFT study of electric field gradients at Hg in 199Hg compounds
Vaida Arcisauskaite, Stefan Knecht, Stephan P. A. Sauer and Lars Hemmingsen
Phys. Chem. Chem. Phys., Vol: 14, No: 8 , published: 28 February 2012
Dipolar 3-methoxychromones as bright and highly solvatochromic fluorescent dyes
Oleksandr A. Kucherak, Ludovic Richert, Yves Mély and Andrey S. Klymchenko
Phys. Chem. Chem. Phys., Vol: 14, No: 7 , published: 21 February 2012
Structure, reactivity, photoactivity and stability of Ti–O based materials: a theoretical comparison
Yun Wang, Tao Sun, Dongjiang Yang, Hongwei Liu, Haimin Zhang, Xiangdong Yao, Huijun Zhao
Phys. Chem. Chem. Phys., Vol: 14, No: 7 , published: 21 February 2012
Influence of hydrogen bonding on excitonic coupling and hierarchal structure of a light-harvesting porphyrin aggregate
Christopher C. Rich, Jeanne L. McHale
Phys. Chem. Chem. Phys., Vol: 14, No: 7 , published: 21 February 2012
Photo-controlled metal-ion (Zn2+ and Cd2+) release in aqueous Tween-20 micelle solution
Xu Zhang,  Yi Chen
Phys. Chem. Chem. Phys., Vol: 14, No: 7 , published: 21 February 2012
Al3+ induced planarization, conformational arrest and metallochromic shift in a pyrimidine dione dye: insight from integrated hybrid quantum–classical calculations
S. Selvaraj, N. Arul Murugan, H. Ågren
Phys. Chem. Chem. Phys., Vol: 14, No: 7 , published: 21 February 2012
The role of the Auger parameter in XPS studies of nickel metal, halides and oxides
Mark C. Biesinger, Leo W. M. Lau, Andrea R. Gerson, Roger St. C. Smart
Phys. Chem. Chem. Phys., Vol: 14, No: 7 , published: 21 February 2012
Can Aromaticity Coexist with Diradical Character? An Ab Initio Valence Bond Study of S2N2 and Related 6π-Electron Four-Membered Rings E2N2 and E42+ (E=S, Se, Te)
Benoît Braïda, Aurélien Lo, Philippe C. Hiberty
ChemPhysChem., Vol: 13, No: 3 , published: 14 February 2012
Quantum defects of nonpenetrating Rydberg states of the SO molecule in adiabatic and nonadiabatic regions of the spectrum
Dmitry L. Dorofeev, Sergei V. Elfimov, and Boris A. Zon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 14 February 2012
Polymer matrix dependence of conformational dynamics within a π-stacked perylenediimide dimer and trimer revealed by single molecule fluorescence spectroscopy
Hyejin Yoo, Hee Won Bahng, Michael R. Wasielewski and Dongho Kim
Phys. Chem. Chem. Phys., Vol: 14, No: 6 , published: 14 February 2012
Limonene: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(I) photoelectron spectroscopy and ab initio calculations
M. A. Śmiałek, M.-J. Hubin-Franskin, J. Delwiche, D. Duflot, N. J. Mason, S. Vrønning-Hoffmann, G. G. B. de Souza, A. M. Ferreira Rodrigues, F. N. Rodrigues and P. Limão-Vieira
Phys. Chem. Chem. Phys., Vol: 14, No: 6 , published: 14 February 2012
Photophysics of indole-2-carboxylic acid in an aqueous environment studied by fluorescence spectroscopy in combination with ab initio calculations
Annemarie Huijser, Michał F. Rode, Alice Corani, Andrzej L. Sobolewski and Villy Sundström
Phys. Chem. Chem. Phys., Vol: 14, No: 6 , published: 14 February 2012
Demonstration of Photoluminescence and Metal-Enhanced Fluorescence of Exfoliated MoS2
Kangfu Zhou,  Yihua Zhu,  Xiaoling Yang,  Jinghong Zhou, Chunzhong Li
ChemPhysChem., Vol: 13, No: 3 , published: 14 February 2012
Matrix isolation ESR spectroscopy and quantum chemical calculations on 5-methylhexa-1,2,4-triene-1,3-diyl, a highly delocalized triplet “hybrid” carbene
Eugenii Ya. Misochko, Alexander V. Akimov, Denis V. Korchagin, Artem A. Masitov and Konstantin N. Shavrin
Phys. Chem. Chem. Phys., Vol: 14, No: 6 , published: 14 February 2012
Phase dependence of dynamical manipulation of NaI predissociation
Yuanxing Liu, Yunquan Liu, and Qihuang Gong
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 2 , published: 14 February 2012
Integrated experimental and computational spectroscopy study on the protonation of the α-nitronyl nitroxide radical unit
Anna-Maria Pütz, Ulrich Schatzschneider,  Eva Rentschler
Phys. Chem. Chem. Phys., Vol: 14, No: 5 , published: 07 February 2012
Photoexcited tautomerization of vinyl alcohol to acetylaldehyde via a conical intersection from contracted Schrödinger theory
James W. Snyder Jr.,  David A. Mazziotti
Phys. Chem. Chem. Phys., Vol: 14, No: 5 , published: 07 February 2012
Phenylcarbazole and phosphine oxide/sulfide hybrids as host materials for blue phosphors: effectively tuning the charge injection property without influencing the triplet energy
Jie Wu, Yi Liao, Shui-Xing Wu, Hai-Bin Li, Zhong-Min Su
Phys. Chem. Chem. Phys., Vol: 14, No: 5 , published: 07 February 2012
Femto to millisecond observations of indole-based squaraine molecules photodynamics in solution
G. de Miguel, M. Marchena, M. Zitnan, S. S. Pandey, S. Hayase, A. Douhal
Phys. Chem. Chem. Phys., Vol: 14, No: 5 , published: 07 February 2012
Toward an Atomic-Level Understanding of Size-Specific Properties of Protected and Stabilized Gold Clusters
Tatsuya Tsukuda
Bull. Chem. Soc. Jpn., Vol: 85, No: 2 , published: 01 February 2012
Subphthalocyanine Derivatives Having a Phosphorus Group as an Axial Substituent
Yasuhiro Yamasaki, Tomohiro Mori
Bull. Chem. Soc. Jpn., Vol: 85, No: 2 , published: 01 February 2012
Synthesis of new heterofunctionalized resorcinarene derivatives
V. I. Maslennikova, T. V. Guzeeva, O. S. Serkova, L. K. Vasyanina, V. V. Glushko, E. E. Nifant’ev
Ж. общ. химии, Vol: 82, No: 2 , published: 01 February 2012
Synthesis of 3-amino-1-benzyl-4-benzenesulfonyl-2-carbonitrilo-1H-pyrrole and preparation of related pyrrolo[3,2-d]pyrimidines
R. N. Solomyannyi, S. R. Slivchuk, A. N. Vasilenko, E. B. Rusanov, V. S. Brovarets
Ж. общ. химии, Vol: 82, No: 2 , published: 01 February 2012
Interplay of strong chemical bonds and the repulsive Coulomb force in the metastable states of triply ionized homonuclear molecules: A theoretical study of N23+ and O23+
Yutaka Imamura and Takaki Hatsui
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 31 January 2012
Nuclear spin conversion in H2O
P. Cacciani, J. Cosléou, and M. Khelkhal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 1 , published: 27 January 2012
Complexes of tetracyclines with divalent metal cations investigated by stationary and femtosecond-pulsed techniques
Benedetta Carlotti, Alessio Cesaretti and Fausto Elisei
Phys. Chem. Chem. Phys., Vol: 14, No: 2 , published: 26 January 2012
Effect of ring torsion on intramolecular vibrational redistribution dynamics of 1,1′-binaphthyl and 2,2′-binaphthyl
Nam Ki Lee, Soonyong Park, Myung-Han Yoon, Zee Hwan Kim and Seong Keun Kim
Phys. Chem. Chem. Phys., Vol: 14, No: 2 , published: 26 January 2012
Transient infrared spectroscopy: a new approach to investigate valence tautomerism
Tourón Touceda Patricia, Mosquera Vázquez Sandra, Lima Manuela, Lapini Andrea, Foggi Paolo, Dei Andrea and Righini Roberto
Phys. Chem. Chem. Phys., Vol: 14, No: 2 , published: 26 January 2012
The role of conformational changes in the signal enhancement of a selective chemosensor of Pb2+
José-Zeferino Ramírez, Rubicelia Vargas and Jorge Garza
Phys. Chem. Chem. Phys., Vol: 14, No: 2 , published: 26 January 2012
Statistical thermodynamics of the isomerization reaction between n-heptane and isoheptane
Tao Yu, Jingjing Zheng and Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 14, No: 2 , published: 26 January 2012
DFT Study of NBO, NICS and 14N NQR Parameters of Guanine Tautomers in the Gas Phase
Ehsan Zahedi, K. Zare, H. Aghaie, S. R. Emamian, A. Shiroudi und M. Aghaie
Z. phys. Chem., Vol: 226, No: 1 , published: 21 January 2012
Carbonyl-Functionalized Quaterthiophenes: A Study of the Vibrational Raman and Electronic Absorption/Emission Properties Guided by Theoretical Calculations
Juan Aragó, Rocío Ponce Ortiz , Belén Nieto-Ortega, Víctor Hernández,  Juan Casado,  Antonio Facchetti, Tobin J. Marks, Pedro M. Viruela,  Enrique Ortí, Juan T. López Navarrete
ChemPhysChem., Vol: 13, No: 1 , published: 16 January 2012
Progress and Challenges in the Calculation of Electronic Excited States
Leticia González, Daniel Escudero,  Luis Serrano-Andrés
ChemPhysChem., Vol: 13, No: 1 , published: 16 January 2012
Are Unsaturated Isocyanides so Different from the Corresponding Nitriles?
Anna Chrostowska, Abdellatif Matrane , Daisuke Maki ,  Said Khayar,  Hideharu Ushiki,  Alain Graciaa,  Larbi Belachemi, Jean-Claude Guillemin
ChemPhysChem., Vol: 13, No: 1 , published: 16 January 2012
Face-to-Face Dimeric Tetrathiafulvalenes and Their Cation Radical and Dication Species as Models of Mixed Valence and π-Dimer States
Masashi Hasegawa, Kota Daigoku, Kenro Hashimoto, Hiroyuki Nishikawa, Masahiko Iyoda
Bull. Chem. Soc. Jpn., Vol: 85, No: 1 , published: 15 January 2012
Molecular Recognition of Chiral Diporphyrin Receptor with a Macrocyclic Cavity for Intercalation of Aromatic Compounds
Tadashi Ema, Norichika Ura, Katsuya Eguchi, Takashi Sakai
Bull. Chem. Soc. Jpn., Vol: 85, No: 1 , published: 15 January 2012
Control of the Equilibrium between 2-Phosphinoazobenzenes and Inner Phosphonium Salts by Heat, Solvent, Acid, and Photoirradiation
Masaki Yamamura, Naokazu Kano, Takayuki Kawashima
Bull. Chem. Soc. Jpn., Vol: 85, No: 1 , published: 15 January 2012
Synthesis, Characterization, and OFET and OLED Properties of π-Extended Ladder-Type Heteroacenes Based on Indolodibenzothiophene
Changsheng Wang, Jun-ichi Nishida, Martin R. Bryce, Yoshiro Yamashita
Bull. Chem. Soc. Jpn., Vol: 85, No: 1 , published: 15 January 2012
Control of Isomerization of Pyridinethiol–Ruthenium Complexes via External Stimuli and Factors Affecting Isomerization Behavior
Tomohiko Hamaguchi, Yoshimasa Inoue, Kikujiro Ujimoto, Satoshi Kawata, Isao Ando
Bull. Chem. Soc. Jpn., Vol: 85, No: 1 , published: 15 January 2012
Излучение циана при возбуждении азота, воздуха и смеси N2CH4 импульсными разрядами в неоднородном электрическом поле
М. В. Ерофеев, М. И. Ломаев, Д. А. Сорокин, В. Ф. Тарасенко
Оптика и спектроскопия, Vol: 112, No: 1 , published: 14 January 2012
Об устойчивости симметричных четырехчастичных молекул
Т. К. Ребане
Оптика и спектроскопия, Vol: 112, No: 1 , published: 14 January 2012
Aza-boron-dipyrromethene dyes: TD-DFT benchmarks, spectral analysis and design of original near-IR structures
Boris Le Guennic, Olivier Maury and Denis Jacquemin
Phys. Chem. Chem. Phys., Vol: 14, No: 1 , published: 07 January 2012
The excited states and vibronic spectroscopy of diphenyldiacetylene and diphenylvinylacetylene
Joshua A. Sebree and Timothy S. Zwier
Phys. Chem. Chem. Phys., Vol: 14, No: 1 , published: 07 January 2012
Interaction between anions and substituted molecular bowls
Patxi García-Novo, Alba Campo-Cacharrón, Enrique M. Cabaleiro-Lago and Jesús Rodríguez-Otero
Phys. Chem. Chem. Phys., Vol: 14, No: 1 , published: 07 January 2012
Synthesis, structure, and photoluminescence of 5-phenyl-2-pyridyl-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolines
A. N. Gusev, V. F. Shul’gin, Z. M. Topilova, S. B. Meshkova
Изв. РАН. Сер. хим., Vol: 2012, No: 1 , published: 04 January 2012
Synthesis of crown-containing and related hetarylphenylacetylenes and acetylenyl dyes
A. I. Vedernikov, N. A. Lobova, L. G. Kuz’mina, N. A. Aleksandrova, S. K. Sazonov, J. A. K. Howard, S. P. Gromov
Изв. РАН. Сер. хим., Vol: 2012, No: 1 , published: 04 January 2012
Free radical abstraction of H atom from peroxides with concerted dissociation of O-O bond
E. T. Denisov, A. F. Shestakov
Изв. РАН. Сер. хим., Vol: 2012, No: 1 , published: 04 January 2012
Synthesis and separation of stereoisomeric 2,4,6,8-tetrasubstituted 3,7-dithia-1,5-diazabicyclo[3.3.0]octanes
V. R. Akhmetova, N. N. Murzakova, G. R. Khabibullina, T. V. Tyumkina, Z. A. Starikova, I. S. Bushmarinov, L. F. Korzhova
Изв. РАН. Сер. хим., Vol: 2012, No: 1 , published: 04 January 2012
From organosilicon precursors to multifunctional silicon carbonitride
N. I. Fainer
Ж. общ. химии, Vol: 82, No: 1 , published: 01 January 2012
Synthesis and tuberculocidic activity of some 4-arylaminomethylene-3-methyl-1-(pyrimidin-2-yl)pyrazol-5(4H)-ones
A. V. Erkin, V. I. Krutikov, A. A. Ivanov
Ж. общ. химии, Vol: 82, No: 1 , published: 01 January 2012
Reaction of rhodium trichloride and dirhodium(II) acetate with trans-4,4′-bis(diethoxyphosphoryl)biphenyl-18-crown-6
E. V. Guseva, A. A. Naumova, D. T. Karimova, A. V. Sokolova, E. L. Gavrilova, T. E. Busygina
Ж. общ. химии, Vol: 82, No: 1 , published: 01 January 2012
3,5-di-tert-butyl-1,4-benzoquinone ferrocenoylhydrazone and its zinc(II), palladium(II), and mercury(II) complexes: Structure and properties
E. A. Raspopova, A. N. Morozov, L. D. Popov, I. N. Shcherbakov, S. I. Levchenkov, V. A. Kogan
Ж. общ. химии, Vol: 82, No: 1 , published: 01 January 2012
Stereoelectronic structure of 1-methyl-3-(trichlorogermyl)propionic acid as found by Ab initio calculations
V. P. Feshin, E. V. Feshina
Ж. общ. химии, Vol: 82, No: 1 , published: 01 January 2012
Molybdenum tin-containing π-complexes (R3SnCH=CH2)Mo(N-2,6-Pr 2 i -C6H3)(OCMe2CF3)2· Synthesis and catalytic properties
Yu. P. Barinova, L. N. Bochkarev, Yu. A. Kurskii, G. A. Abakumov
Ж. общ. химии, Vol: 82, No: 1 , published: 01 January 2012
Reactions of O,O-dialkyldithiophosphoric acids with non-activated α-olefins
I. S. Nizamov, I. D. Nizamov, Ya. E. Popovich, R. A. Cherkasov
Ж. общ. химии, Vol: 82, No: 1 , published: 01 January 2012
Features of synthesis and structure of ethyl (2Z)-3-hydroxy-(2,3,4,5-tetrafluorophenyl)-propyl-2-enoate
D. N. Bazhin, E. V. Shchegol’kov, Yu. S. Kudyakova, K. V. Scherbakov, Ya. V. Burgart, V. I. Saloutin
Ж. общ. химии, Vol: 82, No: 1 , published: 01 January 2012
Condensation of 2-acylcyclohexane-1,3-diones with aromatic aldehydes
D. B. Rubinov, T. A. Zheldakova, R. A. Zheldakova, I. L. Rubinova, A. V. Baranovski, F. A. Lakhvich
Ж. общ. химии, Vol: 82, No: 1 , published: 01 January 2012
Crown ethers based on bis(benzimidazol-2-yl)alkanes and 1,2-bis(benzimidazol-2-ylsulfanyl)ethane
Yu. E. Ivanov, D. E. Stepanov, A. A. Yavolovskii, O. V. Shishkin, V. V. D’yakonenko, G. L. Kamalov
Ж. общ. химии, Vol: 82, No: 1 , published: 01 January 2012
Fluorescence properties of organic dyes: quantum chemical studies on the green/blue neutral and protonated DMA-DPH emitters in polymer matrices
Ioannis S. K. Kerkines, Ioannis D. Petsalakis, Panagiotis Argitis and Giannoula Theodorakopoulos
Phys. Chem. Chem. Phys., Vol: 13, No: 48 , published: 26 December 2011
Accurate thermochemistry and spectroscopy of the oxygen-protonated sulfur dioxide isomers
Cristina Puzzarini
Phys. Chem. Chem. Phys., Vol: 13, No: 48 , published: 26 December 2011
Electron transfer processes in potassium collisions with 5-fluorouracil and 5-chlorouracil
F. Ferreira da Silva, D. Almeida, R. Antunes, G. Martins, Y. Nunes, S. Eden, G. Garcia and P. Limão-Vieira
Phys. Chem. Chem. Phys., Vol: 13, No: 48 , published: 26 December 2011
Reaction between β-phenyl-α-alanine and 4-hydroxy-4-methylpent-2-ynenitrile: a spectroscopic and quantum chemical study
V. A. Shagun, V. I. Smirnov, L. M. Sinegovskaya, V. V. Nosyreva, A. P. Borisova, et al.
Изв. РАН. Сер. хим., Vol: 2011, No: 12 , published: 25 December 2011
Disentanglement of triplet and singlet states of azobenzene: direct EELS detection and QMC modeling
M. Dubecký, R. Derian, L. Horváthová, M. Allan and I. Štich
Phys. Chem. Chem. Phys., Vol: 13, No: 47 , published: 19 December 2011
Combination of spectroscopic and computational methods to get an understanding of supramolecular chemistry of drugs: from simple host systems to biomolecules
Sandra Monti, Ilse Manet and Giancarlo Marconi
Phys. Chem. Chem. Phys., Vol: 13, No: 47 , published: 19 December 2011
Molecular geometries of H2SICF3 and H2OICF3 characterised by broadband rotational spectroscopy
Susanna L. Stephens, Nicholas R. Walker and Anthony C. Legon
Phys. Chem. Chem. Phys., Vol: 13, No: 47 , published: 19 December 2011
Supramolecular Structures of Inclusion Complexes of C70 and Cyclic Porphyrin Dimers
Hirofumi Nobukuni, Takuya Kamimura, Hidemitsu Uno, Yuichi Shimazaki, Yoshinori Naruta, Fumito Tani
Bull. Chem. Soc. Jpn., Vol: 84, No: 12 , published: 15 December 2011
Differences of Structures and Electronic Properties in the Triplet States between Dibromo and Dichloro Mononuclear Polypyridine Iridium(III) Complexes
Naokazu Yoshikawa, Shinichi Yamabe, Nobuko Kanehisa, Tsuyoshi Inoue, Hiroshi Takashima, Keiichi Tsukahara
Bull. Chem. Soc. Jpn., Vol: 84, No: 12 , published: 15 December 2011
Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds
Ferran Feixas, Jelle Vandenbussche, Patrick Bultinck, Eduard Matito and Miquel Solà
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Chemical applications of neural networks: aromaticity of pyrimidine derivatives
Mercedes Alonso, Carlos Miranda, Nazario Martín and Bernardo Herradón
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Size dependences of the diradical character and the second hyperpolarizabilities in dicyclopenta-fused acenes: relationships with their aromaticity/antiaromaticity
Shuto Motomura, Masayoshi Nakano, Hitoshi Fukui, Kyohei Yoneda, Takashi Kubo, Raphaël Carion and Benoît Champagne
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Role of aromaticity and charge of a system in its hydrogen trapping potential and vice versa
Santanab Giri, Sateesh Bandaru, Arindam Chakraborty and Pratim K. Chattaraj
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Applying the conjugated circuits method to Clar structures of [n]phenylenes for determining resonance energies
Milan Randić, Alexandru T. Balaban and Dejan Plavšić
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Using Clar sextets for two- and three-dimensional aromatic systems
Alexandru T. Balaban
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
All-metal aromatic clusters M42 (M = B, Al, and Ga). Are π-electrons distortive or not?
Jordi Poater, Ferran Feixas, F. Matthias Bickelhaupt and Miquel Solà
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Can an eight π-electron bare ring be planar?
Gerardo Martinez-Guajardo, Zeferino Gómez-Saldoval, Daniel F. Jana, Patrizia Calaminici, Clemence Corminboeuf and Gabriel Merino
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Internal rotation and halogen bonds in CF3INH3 and CF3IN(CH3)3 probed by broadband rotational spectroscopy
Susanna L. Stephens, Nicholas R. Walker and Anthony C. Legon
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Dispersed Fluorescence Spectra of 1H- and 1D-Indazole
Hauke Nicken, Friedrich Temps und Erko Jalviste
Z. phys. Chem., Vol: 225, No: 11-12 , published: 11 December 2011
Isomerization dynamics of the 2-phenylazo-1,3-dimethylimidazolium cation photoexcited to the S2 (π, π*) state as studied by transient absorption spectroscopy in the time domain of 10−13 to 103 seconds
A. Ida, B. Cohen, T. Asaka, A. Kawai, J. A. Organero, K. Shibuya and A. Douhal
Phys. Chem. Chem. Phys., Vol: 13, No: 45 , published: 05 December 2011
Homolytic molecular dissociation in natural orbital functional theory
J. M. Matxain, M. Piris, F. Ruipérez, X. Lopez and J. M. Ugalde
Phys. Chem. Chem. Phys., Vol: 13, No: 45 , published: 05 December 2011
N-substituted hexamethyldisilazanes as new substances for the synthesis of functional films in the system Si-Ge-C-N-H
S. V. Sysoev, L. D. Nikulina, A. O. Kolontaeva, M. L. Kosinova, A. A. Titov, V. I. Rakhlin, I. P. Tsyrendorzhieva, A. V. Lis, M. G. Voronkov
Ж. общ. химии, Vol: 81, No: 12 , published: 01 December 2011
Phenyltrifluorosilane in organoelemental and organic synthesis
M. G. Voronkov, O. M. Trofimova, E. A. Grebneva, N. F. Chernov, K. A. Abzaeva
Ж. общ. химии, Vol: 81, No: 12 , published: 01 December 2011
Study of the addition of diazoles to vinylsilanes
V. D. Sheludyakov, N. E. Kuz’mina, A. M. Abramkin, D. A. Cheshkov, P. A. Storozhenko
Ж. общ. химии, Vol: 81, No: 12 , published: 01 December 2011
NMR spectroscopy on heavy nuclei of transition metal complexes. The role of polarization effect
A. N. Egorochkin, O. V. Kuznetsova, N. M. Khamaletdinova, Yu. A. Kurskii
Ж. общ. химии, Vol: 81, No: 12 , published: 01 December 2011
Synthesis and structure of N-(2-silatranylethyl)imidazoles
V. D. Sheludyakov, N. E. Kuz’mina, A. M. Abramkin, A. A. Korlyukov, D. E. Arkhipov, S. V. Loginov, D. A. Cheshkov, P. A. Storozhenko
Ж. общ. химии, Vol: 81, No: 12 , published: 01 December 2011
Synthesis and structure of N-(2-silatranylethyl)pyrazoles
V. D. Sheludyakov, N. E. Kuz’mina, A. M. Abramkin, A. A. Korlyukov, D. E. Arkhipov, S. V. Loginov, D. A. Cheshkov, P. A. Storozhenko
Ж. общ. химии, Vol: 81, No: 12 , published: 01 December 2011
Phenyl(acyloxy)fluorosilanes C6H5Si(OCOR) n F3−n (n = 1, 2) and phenyl(acyloxy)fluorochlorosilanes C6H5Si(OCOR)FCl
S. V. Basenko, L. E. Zelenkov, M. G. Voronkov, A. I. Albanov, D. A. Shabalin
Ж. общ. химии, Vol: 81, No: 12 , published: 01 December 2011
Phenylhalosilazanes
S. V. Basenko, L. E. Zelenkov, M. G. Voronkov, A. I. Albanov
Ж. общ. химии, Vol: 81, No: 12 , published: 01 December 2011
Benchmark results for empirical post-GGA functionals: Difficult exchange problems and independent tests
Narbe Mardirossian, John A. Parkhill and Martin Head-Gordon
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
Investigation of the valence electronic states of Ti(IV) in Ti silicalite-1 coupling X-ray emission spectroscopy and density functional calculations
Erik Gallo, Carlo Lamberti and Pieter Glatzel
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
How dual bridging atoms tune structural and optoelectronic properties of ladder-type heterotetracenes?—a theoretical study
Xian-Kai Chen, Lu-Yi Zou, Ai-Min Ren and Jian-Xun Fan
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
ACMA (9-amino-6-chloro-2-methoxy acridine) forms three complexes in the presence of DNA
Natalia Busto, Begoña García, José M. Leal, Jorge F. Gaspar, Célia Martins, Alessia Boggioni,  Fernando Secco
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
Multi-structural thermodynamics of C–H bond dissociation in hexane and isohexane yielding seven isomeric hexyl radicals
Jingjing Zheng, Tao Yu,  Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
95Mo nuclear magnetic resonance parameters of molybdenum hexacarbonyl from density functional theory: appraisal of computational and geometrical parameters
Jérôme Cuny, Kateryna Sykina, Bruno Fontaine, Laurent Le Pollès, Chris J. Pickard, Régis Gautier
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
A study of selected fragmentation paths of the ethyne dication: theory and experiment
R. Flammini, M. Satta, E. Fainelli,  L. Avaldi
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
A novel efficient approach to heteronuclear triple-decker complexes of rare earth elements with phthalocyanines
A. Yu. Tsivadze, A. G. Martynov, M. A. Polovkova, Yu. G. Gorbunova
Изв. РАН. Сер. хим., Vol: 2011, No: 11 , published: 20 November 2011
2-Hydroxybenzaldehyde (2-phenylquinazolin-4-yl)hydrazones and their ZnII complexes: synthesis and photophysical properties
T. V. Trashakhova, E. V. Nosova, P. A. Slepukhin, M. S. Valova,G. N. Lipunova, et al.
Изв. РАН. Сер. хим., Vol: 2011, No: 11 , published: 20 November 2011
The formation of aryloxenium ion in the reaction of N-nitro-O-(4-nitrophenyl)hydroxylamine with strong acids
M. S. Klenov, A. M. Churakov, V. N. Solkan, Yu. A. Strelenko, V. A. Tartakovsky
Изв. РАН. Сер. хим., Vol: 2011, No: 11 , published: 20 November 2011
The Organic-Transition Metal Complex and the Emission of Triplet States
WU Shi-kang, WANG Peng-fei
Chin. J. Space Sci. = Kongjian kexue xuebao, Vol: 29, No: 2 , published: 18 November 2011
μ-Oxo-Bridged Subphthalocyanine Dimers: Preparation and Characterization by X-ray Structure Analysis
Yasuhiro Yamasaki, Tomohiro Mori
Bull. Chem. Soc. Jpn., Vol: 84, No: 11 , published: 15 November 2011
Synthesis and Optical Properties of Pyridino End-Capped Oligothiophenes
Yong-Mook Hwang, Joji Ohshita, Tomonobu Mizumo, Hiroto Yoshida, Yoshihito Kunugi, Takashi Sugioka
Bull. Chem. Soc. Jpn., Vol: 84, No: 11 , published: 15 November 2011
Spectroscopic analysis of the coupled 11Π, 23Σ+ (Ω = 0, 1), and b3Π (Ω = 0±, 1, 2) states of the KRb molecule using both ultracold molecules and molecular beam experiments
Jin-Tae Kim, Yonghoon Lee, Bongsoo Kim, Dajun Wang, William C. Stwalley, Phillip L. Gould and Edward E. Eyler
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Spectroscopy of nS, nP, and nD Rydberg series of Cs atoms on helium nanodroplets
F. Lackner, G. Krois, M. Theisen, M. Koch and W. E. Ernst
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Homo- and heteronuclear alkali metal trimers formed on helium nanodroplets. Part II. Femtosecond spectroscopy and spectra assignments
Christian Giese, Frank Stienkemeier, Marcel Mudrich, Andreas W. Hauser and Wolfgang E. Ernst
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Rotovibrational spectroscopy of hydrogen peroxide embedded in superfluid helium nanodroplets
Paul L. Raston, Chrissy J. Knapp and Wolfgang Jäger
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Franck–Condon factors and radiative lifetime of the A2Π1/2X2Σ+ transition of ytterbium monofluoride, YbF
Xiujuan Zhuang, Anh Le, Timothy C. Steimle, N. E. Bulleid, I. J. Smallman, R. J. Hendricks, S. M. Skoff, J. J. Hudson, B. E. Sauer, E. A. Hinds and M. R. Tarbutt
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Formation of ultracold Rb2 molecules in the v′′ = 0 level of the a3Σ+u state via blue-detuned photoassociation to the 13Πg state
M. A. Bellos, D. Rahmlow, R. Carollo, J. Banerjee, O. Dulieu, A. Gerdes, E. E. Eyler, P. L. Gould and W. C. Stwalley
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Formation of ultracold SrYb molecules in an optical lattice by photoassociation spectroscopy: theoretical prospects
Michał Tomza, Filip Pawłowski, Małgorzata Jeziorska, Christiane P. Koch and Robert Moszynski
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Implementing quantum algorithms in hyperfine levels of ultracold polar molecules by optimal control
Philippe Pellegrini, Stéphane Vranckx and Michèle Desouter-Lecomte
Phys. Chem. Chem. Phys., Vol: 13, No: 42 , published: 14 November 2011
Metastable ClO2+ and ClO3+ ions in the gas phase: a combined theoretical and mass spectrometric investigation
V. Brites, K. Franzreb and M. Hochlaf
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Effect of substituents and hydrogen bonding on barrier heights in dehydration reactions of carbon and silicon geminal diols
Igor Ignatyev, Manuel Montejo, Pilar Gema Rodríguez Ortega and Juan Jesús López González
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Experimental and theoretical study on the absorption and fluorescence properties of substituted aryl hydrazones of 1,8-naphthalimide
Diana Cheshmedzhieva, Plamena Ivanova, Stanimir Stoyanov, Donka Tasheva, Mashenka Dimitrova, Ivaylo Ivanov and Sonia Ilieva
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
A large perturbation on geometry structures, excited state properties, charge-injection and -transporting abilities of Ir(III) complexes by different substituents on ligands: a DFT/TDDFT study
Shu-Juan Liu, Nan-Nan Song, Jing-Xia Wang, Yan-Qin Huang, Qiang Zhao, Xiang-Mei Liu, Shi Sun and Wei Huang
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Carbohydrate hydration: heavy water complexes of α and β anomers of glucose, galactose, fucose and xylose
Nitzan Mayorkas, Svemir Rudić, Emilio J. Cocinero, Benjamin G. Davis and John P. Simons
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Correlation of the EPR properties of perchlorotriphenylmethyl radicals and their efficiency as DNP polarizers
Debamalya Banerjee, Juan Carlos Paniagua, Veronica Mugnaini, Jaume Veciana, Akiva Feintuch, Miquel Pons and Daniella Goldfarb
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Single and multiple photoionisation of H2S by 40–250 eV photons
J. H. D. Eland, R. F. Fink, P. Linusson, L. Hedin, S. Plogmaker and R. Feifel
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Metastable states in NO2+ probed with Auger spectroscopy
R. Püttner, V. Sekushin, H. Fukuzawa, T. Uhlíková, V. Špirko, T. Asahina, N. Kuze, H. Kato, M. Hoshino, H. Tanaka, T. D. Thomas, E. Kukk, Y. Tamenori, G. Kaindl and K. Ueda
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Time-resolved predissociation of the vibrationless level of the B state of CH3I
N. Thiré, R. Cireasa, D. Staedter, V. Blanchet and S. T. Pratt
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Фосфаты, фосфинат и гидрофосфорильное соединение флавоноида дигидрокверцетина
Э. Е. Нифантьев, М. С. Крымчак, Т. С. Кухарева, Л. К. Васянина
Докл. РАН, Vol: 441, No: 2 , published: 11 November 2011
Speciation of uranyl ions in fulvic acid and humic acid: a DFT exploration
Mahesh Sundararajan, Gopalan Rajaraman and Swapan K. Ghosh
Phys. Chem. Chem. Phys., Vol: 13, No: 40 , published: 06 November 2011
Study of structure and spectral characteristics of the binuclear zinc complex with (E)-2-({2-[3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]phenylimino}methyl)phenol
V. A. Minaeva, B. F. Minaev, G. V. Baryshnikov, T. N. Kopylova, R. M. Gadirov, N. S. Eremina
Ж. общ. химии, Vol: 81, No: 11 , published: 01 November 2011
Synthesis of carbocycles with the fragments of phenylenediamines and their copper(II), cobalt(II), and zinc(II) complexes
G. R. Berezina, G. P. Shaposhnikov
Ж. общ. химии, Vol: 81, No: 11 , published: 01 November 2011
Synthesis of new efficient laser dyes of red spectral range, the DCM analogs, based on 2-aryl-6-methyl-4H-pyrone
O. V. Ponomareva, A. P. Lugovskii, A. A. Lugovskii, M. P. Males, I. V. Komlev, E. E. Nifant’ev
Ж. общ. химии, Vol: 81, No: 11 , published: 01 November 2011
Tetrapyrrole cation receptor for selective binding fluoride ion
O. M. Kulikova, Yu. B. Ivanova, A. V. Glazunov, A. S. Semeikin, N. Zh. Mamardashvili
Ж. общ. химии, Vol: 81, No: 11 , published: 01 November 2011
Synthesis and spectral properties of 3,3′-bis(dipyrrolylmethene)
N. A. Dudina, M. B. Berezin, G. B. Guseva, A. S. Semeikin
Ж. общ. химии, Vol: 81, No: 11 , published: 01 November 2011
Synthesis and study of properties of the sulfonaphthylazophenoxyphthalonitrile and related phthalocyanine
T. V. Tikhomirova, R. A. Badaukayte, V. P. Kulinich, G. P. Shaposhnikov
Ж. общ. химии, Vol: 81, No: 11 , published: 01 November 2011
Synthetic, characterization and catalytic studies of some coordination compounds derived from unsymmetrical quadridentate Schiff base ligand
G. B. Pethe, A. R. Yaul, A. S. Aswar
Ж. общ. химии, Vol: 81, No: 11 , published: 01 November 2011
Synthesis and photophysical properties of Cd(II) and Cu(II) complexes with decamethylated bis(dipyrrolylmethene)
L. A. Antina, N. A. Dudina, G. B. Guseva, M. B. Berezin, A. I. V’yugin
Ж. общ. химии, Vol: 81, No: 11 , published: 01 November 2011
Ab Initio calculation of molecular, thermodynamic, and kinetic parameters of CF, CF2, CF3, and C2F5 radicals and CF4, CF3I, C2F4, and C2F6 molecules in gas
G. A. Skorobogatov, V. I. Baranovskii
Ж. общ. химии, Vol: 81, No: 11 , published: 01 November 2011
Effect of the molecular structure on the strength of the C-NO2 bond in a series of monofunctional nitrobenzene derivatives
D. D. Sharipov, D. L. Egorov, D. V. Chachkov, A. G. Shamov, G. M. Khrapkovskii
Ж. общ. химии, Vol: 81, No: 11 , published: 01 November 2011
Photophysical and quantum chemical study on a J-aggregate forming perylene bisimide monomer
David Ambrosek, Henning Marciniak, Stefan Lochbrunner, Jörg Tatchen, Xue-Qing Li, Frank Würthner,  Oliver Kühn
Phys. Chem. Chem. Phys., Vol: 13, No: 39 , published: 21 October 2011
Molecular dynamics effects on luminescence properties of oligothiophene derivatives: a molecular mechanics–response theory study based on the CHARMM force field and density functional theory
Jonas Sjöqvist, Mathieu Linares, Mikael Lindgren,  Patrick Norman
Phys. Chem. Chem. Phys., Vol: 13, No: 39 , published: 21 October 2011
Visible luminescence spectroscopy of free-base and zinc phthalocyanines isolated in cryogenic matrices
Ciaran Murray, Nadia Dozova, John G. McCaffrey, Niloufar Shafizadeh, Wuthurath Chin, Michel Broquier,  Claudine Crépin
Phys. Chem. Chem. Phys., Vol: 13, No: 39 , published: 21 October 2011
Switching the photoinduced processes in host–guest complexes of β-cyclodextrin-substituted silicon(IV) phthalocyanines and a tetrasulfonated porphyrin
Eugeny A. Ermilov, Roel Menting, Janet T. F. Lau, Xuebing Leng, Beate Röder,  Dennis K. P. Ng
Phys. Chem. Chem. Phys., Vol: 13, No: 39 , published: 21 October 2011
Ultrafast transient mid IR to visible spectroscopy of fully reduced flavins
Rui-Kun Zhao, Andras Lukacs, Allison Haigney, Richard Brust, Gregory M. Greetham, Michael Towrie, Peter J. Tonge, Stephen R. Meech
Phys. Chem. Chem. Phys., Vol: 13, No: 39 , published: 21 October 2011
Electric field-controlled dissociation and association of porphyrin J-aggregates in aqueous solution
Kazuaki Nakata, Takayoshi Kobayashi,  Eiji Tokunaga
Phys. Chem. Chem. Phys., Vol: 13, No: 39 , published: 21 October 2011
Dark state vibronic coupling in the Ã(2Π) ← [X with combining tilde](2Σ+) band of ethynyl radical via high resolution infrared absorption spectroscopy
Erin N. Sharp-Williams, Melanie A. Roberts,  David J. Nesbitt
Phys. Chem. Chem. Phys., Vol: 13, No: 39 , published: 21 October 2011
UV absorption cross sections between 230 and 350 nm and pressure dependence of the photolysis quantum yield at 308 nm of CF3CH2CHO
María Antiñolo, Elena Jiménez and José Albaladejo
Phys. Chem. Chem. Phys., Vol: 13, No: 35 , published: 20 October 2011
The effect of the position of methyl substituents on photophysical and photochemical properties of [Ru(x,x′-dmb)(CN)4]2 complexes: experimental confirmation of the theoretical predictions
Péter Szabó, György Lendvay, Attila Horváth and Margit Kovács
Phys. Chem. Chem. Phys., Vol: 13, No: 35 , published: 20 October 2011
Interpretation of substituent effects on 13C and 15N NMR chemical shifts in 6-substituted purines
Stanislav Standara, Kateřina Bouzková, Michal Straka, Zuzana Zacharová, Michal Hocek, Jaromír Marek and Radek Marek
Phys. Chem. Chem. Phys., Vol: 13, No: 35 , published: 20 October 2011
Illumination of the effect of the overlap of lone-pairs on indirect nuclear spin–spin coupling constants
Olga L. Malkina, Anežka Křístková, Elena Malkin, Stanislav Komorovský and Vladimir G. Malkin
Phys. Chem. Chem. Phys., Vol: 13, No: 35 , published: 20 October 2011
Creation of Nucleophilic Boryl Anions and Their Properties
Makoto Yamashita
Bull. Chem. Soc. Jpn., Vol: 84, No: 10 , published: 15 October 2011
Stabilization of Excited State Using Through-Space Interaction between Independent π-Systems Mediated by a peri-Substituted Hydroxy Group in 1-Arylnaphthalenes: Unexpected Blue Emission of 1,3,5-Tris(peri-hydroxynaphthyl)benzene
Hideto Nakajima, Makoto Yasuda, Kenji Shimizu, Naomi Toyoshima, Yasunori Tsukahara, Takao Kobayashi, Shinichiro Nakamura, Kouji Chiba, Akio Baba
Bull. Chem. Soc. Jpn., Vol: 84, No: 10 , published: 15 October 2011
Catalytic Hydrogenation of Carbon Dioxide with a Highly Active Hydride on Ir(III)–Pincer Complex: Mechanism for CO2 Insertion and Nature of Metal–Hydride Bond
Jun Li, Kazunari Yoshizawa
Bull. Chem. Soc. Jpn., Vol: 84, No: 10 , published: 15 October 2011
Spectral and intramolecular charge transfer properties in terminal donor/acceptor-substituted all-trans-α,ω-diphenylpolyenes and α,ω-diphenylpolyynes
Xiaonan Ma, Linyin Yan, Xuefei Wang, Qianjin Guo and Andong Xia
Phys. Chem. Chem. Phys., Vol: 13, No: 38 , published: 14 October 2011
Multiple photosynthetic reaction centres using zinc porphyrinic oligopeptide–fulleropyrrolidine supramolecular complexes
Shunichi Fukuzumi, Kenji Saito, Kei Ohkubo, Vincent Troiani, Hongjin Qiu, Suresh Gadde, Francis D'Souza and Nathalie Solladi
Phys. Chem. Chem. Phys., Vol: 13, No: 38 , published: 14 October 2011
A novel ruthenium(II) complex for two-photon absorption-based optical power limiting in the near-IR range
Mickaël Four, Didier Riehl, Olivier Mongin, Mireille Blanchard-Desce, Latévi Max Lawson-Daku, Juliette Moreau, Jérôme Chauvin, Jacques A. Delaire and Gilles Lemercier
Phys. Chem. Chem. Phys., Vol: 13, No: 38 , published: 14 October 2011
Intra- and inter-monomeric transfers in the light harvesting LHCII complex: the Redfield–Förster picture
Vladimir Novoderezhkin, Alessandro Marin and Rienk van Grondelle
Phys. Chem. Chem. Phys., Vol: 13, No: 38 , published: 14 October 2011
Спектральные и термохимические свойства комплекса [NA(H2O)4][EUL4]·0.775CH2Cl2
Тайдаков И.В., Зайцев Б.Е., Красносельский С.С., Борисов Р.С.
Ж. общ. химии, Vol: 81, No: 10 , published: 09 October 2011
Visible and ultraviolet spectroscopy of gas phase protein ions
Rodolphe Antoine and Philippe Dugourd
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
Interfacial assembly of cinnamoyl-terminated bolaamphiphiles through the air/water interface: headgroup-dependent assembly, supramolecular nanotube and photochemical sewing
Xufei Liu, Tianyu Wang and Minghua Liu
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
Conformationally resolved structures of jet-cooled acetaminophen by UV–UV hole-burning spectroscopy
Seung Jun Lee, Ahreum Min, Yusic Kim, Ahreum Ahn, Jinyoung Chang, Sang Hak Lee, Myong Yong Choi and Seong Keun Kim
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations
Alfonso Pedone, Giacomo Prampolini, Susanna Monti and Vincenzo Barone
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
Radical cation (C˙+–π) and radical anion (A˙–π) interactions with aromatic rings: energetic, orbitalic and spin density considerations
Carolina Estarellas, Antonio Frontera, David Quiñonero and Pere M. Deyà
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
The photoinduced isomerization and its implication in the photo-dynamical processes in two simple Schiff bases isolated in solid argon
Joanna Grzegorzek, Aleksander Filarowski and Zofia Mielke
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
Natural abundance solid-state 67Zn NMR characterization of microporous zinc phosphites and zinc phosphates at ultrahigh magnetic field
Andre Sutrisno, Li Liu, Jun Xu and Yining Huang
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
Oxidation of 1-amino-4,5-bis(dimethylamino)naphthalene as a route to the double “proton sponges” based on dibenzo[a,h]phenazine and 1,1′-azonaphthalene
M. P. Vlasenko, V. A. Ozeryanskii, A. F. Pozharskii
Изв. РАН. Сер. хим., Vol: 2011, No: 10 , published: 06 October 2011
Generation of oxodiazonium ions 3. Synthesis of [1,2,5]oxadiazolo[3,4-c]cinnoline-1,5-dioxides
V. P. Zelenov, A. A. Voronin, A. M. Churakov, M. S. Klenov, Yu. A. Strelenko, V. A. Tartakovsky
Изв. РАН. Сер. хим., Vol: 2011, No: 10 , published: 06 October 2011
Germylated steroids. 3. Synthesis of trialkylgermylated steroids
R. G. Karpenko, I. V. Krylova, A. V. Kamernitskii
Изв. РАН. Сер. хим., Vol: 2011, No: 10 , published: 06 October 2011
Циклизация–дециклизация пространственно-затрудненного  o-иминобензохинона
 Г. А. Абакумов, В. К. Черкасов, А. В. Пискунов, О. Ю. Трофимова, А. С. Шавырин
Докл. АН(Россия), Vol: 440, No: 6 , published: 05 October 2011
Slice imaging and wave packet study of the photodissociation of CH3I in the blue edge of the A-band: evidence of reverse 3Q01Q1 non-adiabatic dynamics
M. G. González, J. D. Rodríguez, L. Rubio-Lago, A. García-Vela, L. Bañares
Phys. Chem. Chem. Phys., Vol: 13, No: 36 , published: 28 September 2011
Unique interplay between electronic states and dihedral angle for the molecular rotor diphenyldiacetylene
Peter W. Thulstrup, Søren V. Hoffmann, Bjarke K. V. Hansen, Jens Spanget-Larsen
Phys. Chem. Chem. Phys., Vol: 13, No: 36 , published: 28 September 2011
Femtosecond broadband time-resolved fluorescence and transient absorption study of the intramolecular charge transfer state of methyl 4-dimethylaminobenzoate
Chris Tsz-Leung Chan, Chopen Chan-Wut Cheng, Keith Yat-Fung Ho, Wai-Ming Kwok
Phys. Chem. Chem. Phys., Vol: 13, No: 36 , published: 28 September 2011
Trends in structural, electronic and energetic properties of bimetallic vanadium–gold clusters AunV with n = 1–14
Pham Vu Nhat, Minh Tho Nguyen
Phys. Chem. Chem. Phys., Vol: 13, No: 36 , published: 28 September 2011
Approaches to the solvation of the molecular probe N-methyl-6-quinolone in its excited state
Christoph Allolio, Daniel Sebastiani
Phys. Chem. Chem. Phys., Vol: 13, No: 36 , published: 28 September 2011
Temperature dependent structured absorption spectra of molecular chlorine
I. A. K. Young, C. Murray, C. M. Blaum, R. A. Cox, R. L. Jones and F. D. Pope
Phys. Chem. Chem. Phys., Vol: 13, No: 33 , published: 14 September 2011
On the stability of the elusive HO3 radical
A. J. C. Varandas
Phys. Chem. Chem. Phys., Vol: 13, No: 34 , published: 14 September 2011
Ionization potentials of adenine along the internal conversion pathways
Mario Barbatti and Susanne Ullrich
Phys. Chem. Chem. Phys., Vol: 13, No: 34 , published: 14 September 2011
Shared solvation of sodium ions in alcohol–water solutions explains the non-ideality of free energy of solvation
Kathrin M. Lange, Ulf Bergmann, Kai F. Hodeck, René Könnecke, Ulrich Schade and Emad F. Aziz
Phys. Chem. Chem. Phys., Vol: 13, No: 34 , published: 14 September 2011
Синтез 5',6',7',7А'-тетрагидроспиро[циклогексан-1,4'- инден]-2'(1'H)-она И 1',2',6',7'-тетрагидроспиро[циклогек- сан-1,4'-инден]-3'(5'H)-она
Асаченко А.Ф., Кононович Д.С., Воскобойников А.З.
Вестн. МГУ. Сер. 2, Vol: 52, No: 5 , published: 09 September 2011
Experimental and theoretical determination of the accurate CH/π interaction energies in benzene–alkane clusters: correlation between interaction energy and polarizability
Asuka Fujii, Hiromasa Hayashi, Jae Woo Park, Takaki Kazama, Naohiko Mikami and Seiji Tsuzuki
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Structures and IR/UV spectra of neutral and ionic phenol–Arn cluster isomers (n ≤ 4): competition between hydrogen bonding and stacking
Matthias Schmies, Alexander Patzer, Masaaki Fujii and Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Comparison of the performance of dispersion-corrected density functional theory for weak hydrogen bonds
Waldemar Hujo and Stefan Grimme
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
An ab initio study of cooperative effects in ternary complexes X:CNH:Z with X, Z=CNH, FH, ClH, FCl, and HLi: structures, binding energies, and spin–spin coupling constants across intermolecular bonds
Janet E. Del Bene, Ibon Alkorta and José Elguero
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Hydrogen-bonded structures for self-aggregates of 2,5-dimethylpyrrole and its binary clusters with pyrrole studied by IR cavity ringdown spectroscopy
Yoshiteru Matsumoto and Kenji Honma
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Jet-cooled hydrates of Chiral (S) 1,2,3,4-tetrahydro-3-isoquinoline methanol (THIQM): structure and mechanism of formation
Katia Le Barbu-Debus, Ananya Sen, Michel Broquier and Anne Zehnacker
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
From a localized H3O radical to a delocalized H3O+e solvent-separated pair by sequential hydration
Frank Uhlig, Ondrej Marsalek and Pavel Jungwirth
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
A combined Raman- and infrared jet study of mixed methanol–water and ethanol–water clusters
Marija Nedić, Tobias N. Wassermann, René Wugt Larsen and Martin A. Suhm
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
On the weak O–Hhalogen hydrogen bond: a rotational study of CH3
Gang Feng, Luca Evangelisti, Laura B. Favero, Jens-Uwe Grabow, Zhining Xia and Walther Caminati
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
On the weakly C–Hπ hydrogen bonded complexes of sevoflurane and benzene
Johan J. J. Dom, Benjamin J. van der Veken, Bart Michielsen, Sam Jacobs, Zhifeng Xue, Susanne Hesse, Hans-Martin Loritz, Martin A. Suhm and Wouter A. Herrebout
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Weak interactions in ion–ligand complexes of C3H+3 isomers: competition between H-bound and C-bound structures in c-C3H+3·L and H2CCCH+·L (L = Ne, Ar, N2, CO2, and O2
Peter Botschwina, Rainer Oswald and Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Dimers of cyclic carbonates: chirality recognition in battery solvents and energy storage
Franz Kollipost, Susanne Hesse, Juhyon J. Lee and Martin A. Suhm
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Infrared and microwave spectra of the acetylene–ammonia and carbonyl sulfide–ammonia complexes: a comparative study of a weak C–HN hydrogen bond and an SN bond
Xunchen Liu and Yunjie Xu
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Structure and properties of the (HCl)2H2O cluster observed by chirped-pulse Fourier transform microwave spectroscopy
Zbigniew Kisiel, Alberto Lesarri, Justin L. Neill, Matt T. Muckle and Brooks H. Pate
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Observation of a double C–Hπ interaction in the CH2ClFHCCH weakly bound complex
Lena F. Elmuti, Rebecca A. Peebles, Sean A. Peebles, Amanda L. Steber, Justin L. Neill and Brooks H. Pate
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Theoretical study of electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical observations. Part I. Static aspects
S. Ghanta, V. Sivaranjana Reddy, S. Mahapatra
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
Theoretical study of the electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical observations. Part II. Dynamics consequences
S. Ghanta, V. Sivaranjana Reddy, S. Mahapatra
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
Position matters: competing O–H and N–H photodissociation pathways in hydroxy- and methoxy-substituted indoles
Thomas A. A. Oliver, Graeme A. King, Michael N. R. Ashfold
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
Structures, spectroscopic properties and redox potentials of quaterpyridyl Ru(II) photosensitizer and its derivatives for solar energy cell: a density functional study
Qing-Jiang Pan, Yuan-Ru Guo, Li Li, Samuel O. Odoh, Hong-Gang Fu, Hong-Xing Zhang
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
Chemiluminescent NiO* emissions: band systems and spectral simulation
R.L. Gattinger, W.F.J. Evans, E.J. Llewellyn
Can. J. Phys., Vol: 89, No: 8 , published: 14 August 2011
Theoretical studies on ClOO — electronic spectra, ionization potential, and electron affinity
Friedrich Grein
Can. J. Phys., Vol: 89, No: 8 , published: 14 August 2011
Исследование взаимодействия антигенов и антител на основе анализа спектров фотолюминесценции при ультрафиолетовом лазерном возбуждении
Горелик B.C., Козлова Г.В., Куркин Ю.П., Показеев К.В.
Кpатк. сообщ. по физ. ФИAН, Vol: 2011, No: 8 , published: 13 August 2011
Spectroscopic and Molecular Modeling Studies of the Inclusion Complex of TNBAB with β-cyclodextrin in Aqueous Solution
Zhenyu Yang, Chunzhi Gao, Hongming Wang, Ningyu Gu, Rongbin Zhang und Ning Zhang
Z. phys. Chem., Vol: 225, No: 8 , published: 11 August 2011
Interference Effects in Vibronic 2D-Spectra of Diatomic Molecules
Alexander Schubert, Volker Engel
Z. phys. Chem., Vol: 225, No: 6-7 , published: 08 August 2011
Pronounced polarization anisotropy in resonant X-ray emission from acetic acid molecules in solution
Horikawa Yuka/Tokushima Takashi/Hiraya Atsunari/Shin Shik
Phys. Chem. Chem. Phys., Vol: 12, No: 32 , published: 06 August 2011
Rovibrational levels of HD
Pachucki Krzysztof Pachucki/Komasa Jacek
Phys. Chem. Chem. Phys., Vol: 12, No: 32 , published: 06 August 2011
Quantum chemical simulation of silicon tetrachloride hydrogenation
A. V. Vorotyntsev, S. V. Zelentsov, V. M. Vorotyntsev
Изв. РАН. Сер. хим., Vol: 2011, No: 8 , published: 02 August 2011
Strong halogen bonding of 1,2-diiodoperfluoroethane and 1,6-diiodoperfluorohexane with halide anions revealed by UV-Vis, FT-IR, NMR spectroscopes and crystallography
Qian Jin Shen and Wei Jun Jin
Phys. Chem. Chem. Phys., Vol: 13, No: 30 , published: 29 July 2011
Thiazole orange (TO) as a light-switch probe: a combined quantum-mechanical and spectroscopic study
Alessandro Biancardi, Tarita Biver, Alberto Marini, Benedetta Mennucci and Fernando Secco
Phys. Chem. Chem. Phys., Vol: 13, No: 27 , published: 21 July 2011
The excited state dipole moments of betaine pyridinium investigated by an innovative solvatochromic analysis and TDDFT calculations
Zuzanna Pawlowska, Aude Lietard, Stéphane Aloïse, Michel Sliwa, Abdenacer Idrissi, Olivier Poizat, Guy Buntinx, Stéphanie Delbaere, Aurélie Perrier, François Maurel, Patrice Jacques and Jiro Abe
Phys. Chem. Chem. Phys., Vol: 13, No: 29 , published: 21 July 2011
Atomistic mechanism of charge separation upon photoexcitation at the dye–semiconductor interface for photovoltaic applications
Yang Jiao, Zijing Ding and Sheng Meng
Phys. Chem. Chem. Phys., Vol: 13, No: 29 , published: 21 July 2011
The charging of the carbon nanotube/oligothiophene interphase as studied by in situ electron spin resonance/UV-Vis-NIR spectroelectrochemistry
Kinga Haubner, Karol Luspai, Peter Rapta and Lothar Dunsch
Phys. Chem. Chem. Phys., Vol: 13, No: 29 , published: 21 July 2011
Conformational effects, molecular orbitals, and reaction activities of bis(phthalocyaninato) lanthanum double-deckers: Density functional theory calculations
Dongdong Qi, Lijuan Zhang, Liang Wan, Yuexing Zhang, Yongzhong Bian and Jianzhuang Jiang
Phys. Chem. Chem. Phys., Vol: 13, No: 29 , published: 21 July 2011
Proton mobility and stability of water clusters containing the bisulfate anion, HSO4(H2O)n
Alexey S. Zatula, Patrik Urban Andersson, Mauritz Johan Ryding and Einar Uggerud
Phys. Chem. Chem. Phys., Vol: 13, No: 29 , published: 21 July 2011
The valence electronic structure and conformational flexibility of epichlorohydrin
S. Stranges, M. Alagia, P. Decleva, M. Stener, G. Fronzoni, D. Toffoli, M. Speranza, D. Catone, S. Turchini, T. Prosperi, N. Zema, G. Contini and Y. Keheyan
Phys. Chem. Chem. Phys., Vol: 13, No: 27 , published: 21 July 2011
Definitive solid-state 185/187Re NMR spectral evidence for and analysis of the origin of high-order quadrupole-induced effects for I = 5/2
Cory M. Widdifield, Alex D. Bain and David L. Bryce
Phys. Chem. Chem. Phys., Vol: 13, No: 27 , published: 21 July 2011
Aromatic polyazides and high-spin nitrenes
S. V. Chapyshev
Изв. РАН. Сер. хим., Vol: 2011, No: 7 , published: 20 July 2011
Structure and properties of 3,6′-dimethyl-2,3-dihydrospiro-[naphtho[1,3]oxazine-2,2′-[2H]-chromen]-4-ones
S. M. Aldoshin, E. L. Mukhanov, B. S. Lukyanov, S. O. Bezuglyi, M. B. Lukyanova, A. N. Utenyshev, V. V. Tkachev and V. I. Minkin
Изв. РАН. Сер. хим., Vol: 2011, No: 7 , published: 20 July 2011
New photochromic 1,1,3-trimethylspiro[benzo[e]indoline-2,3′-[3H]-pyrano[3,2-f]quinoline]
S. M. Aldoshin, V. V. Tkachev, K. N. Khalanskii, B. S. Lukyanov, V. I. Minkin, et al.
Изв. РАН. Сер. хим., Vol: 2011, No: 7 , published: 20 July 2011
Structure and photochromic properties of the crystalline 1,3-dimethyl-2-(3-phenylnorbornadienyl)benzimidazolium tetrafluoroborate
E. A. Yurieva, V. V. Tkachev, S. M. Aldoshin, V. A. Chernoivanov, V. A. Bren, et al.
Изв. РАН. Сер. хим., Vol: 2011, No: 7 , published: 20 July 2011
Subporphyrins: A Legitimate Ring-Contracted Porphyrin with Versatile Electronic and Optical Properties
Atsuhiro Osuka, Eiji Tsurumaki, Takayuki Tanaka
Bull. Chem. Soc. Jpn., Vol: 84, No: 7 , published: 15 July 2011
Hydroxy-Functionalized Porphycenes: Structure, Spectroscopy, and Electrochemistry
Toru Okawara, Masaaki Abe, Hisashi Shimakoshi, Yoshio Hisaeda
Bull. Chem. Soc. Jpn., Vol: 84, No: 7 , published: 15 July 2011
Chemistry of Anthracene–Acetylene Oligomers. XVIII. Construction and Structures of Belt-Shaped Macrocyclic Oligomers with Anthracene Units and Acetylene Linkers and Resolution of Chiral Derivatives
Takeharu Ishikawa, Tetsuo Iwanaga, Shinji Toyota, Mikio Yamasaki
Bull. Chem. Soc. Jpn., Vol: 84, No: 7 , published: 15 July 2011
Cobalt(II), Manganese(IV) Mononuclear and Zinc(II) Symmetric Dinuclear Complexes of an Aliphatic Hydrazone Schiff Base Ligand with Diversity in Coordination Behaviors and Supramolecular Architectures: Syntheses, Structural Elucidations, and Spectroscopic Characterizations
Dipali Sadhukhan, Aurkie Ray, Guillaume Pilet, Georgina M. Rosair, Eugenio Garribba, Aline Nonat, Loïc J. Charbonnière, Samiran Mitra
Bull. Chem. Soc. Jpn., Vol: 84, No: 7 , published: 15 July 2011
Characterizing Hydrogen Bonding in Uracil–Nitrosamine Complexes through One- and Two-Bond Spin–Spin Coupling Constants across Hydrogen Bonds
Hossein Roohi, Elham Anjomshoa
Bull. Chem. Soc. Jpn., Vol: 84, No: 7 , published: 15 July 2011
Molecular interactions and structure of a supramolecular arrangement of glucose oxidase and palladium nanoparticles
Andressa R. Pereira, Rodrigo M. Iost, Marccus V. A. Martins, Cesar H. Yokomizo, Welter C. da Silva, Iseli L. Nantes, Frank N. Crespilho
Phys. Chem. Chem. Phys., Vol: 13, No: 26 , published: 14 July 2011
Новые биполярные сополифлуорены: синтез, фото- и электролюминесцентные свойства
М. Л. Кештов, Е. И. Мальцев, Д. В. Марочкин, С. И. Позин, Д. А. Лыпенко, В. П. Перевалов, П. В. Петровский, А. Р. Хохлов
Докл. АН(Россия), Vol: 439, No: 1 , published: 11 July 2011
Multicolored electrochromism in 4,4′-biphenyl dicarboxylic acid diethyl ester
Kinji Imaizumi, Yuichi Watanabe, Kazuki Nakamura, Takashige Omatsu and Norihisa Kobayashi
Phys. Chem. Chem. Phys., Vol: 13, No: 25 , published: 07 July 2011
Distorted fused porphyrin–phthalocyanine conjugates: synthesis and photophysics of supramolecular assembled systems with a pyridylfullerene
Ana M. V. M. Pereira, Ana R. M. Soares, Anita Hausmann, Maria G. P. M. S. Neves, Augusto C. Tomé, Artur M. S. Silva, José A. S. Cavaleiro, Dirk M. Guldi and Tomás Torres
Phys. Chem. Chem. Phys., Vol: 13, No: 25 , published: 07 July 2011
Towards experimental determination of conical intersection properties: a twin state based comparison with bound excited states
Shmuel Zilberg and Yehuda Haas
Phys. Chem. Chem. Phys., Vol: 13, No: 25 , published: 07 July 2011
Fluorescence quantum yield and photochemistry of bacteriophytochrome constructs
K. C. Toh, Emina A. Stojković, Ivo H. M. van Stokkum, Keith Moffat and John T. M. Kennis
Phys. Chem. Chem. Phys., Vol: 13, No: 25 , published: 07 July 2011
Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region
E. Collini, S. Carlotto, C. Ferrante, R. Bozio, A. Polimeno, J. Bloino, V. Barone, E. Ronchi, L. Beverina and G. A. Pagani
Phys. Chem. Chem. Phys., Vol: 13, No: 25 , published: 07 July 2011
Electronic structure and absorption spectra of supramolecular complexes of a fullerene crown ether with a π-extended TTF derivative
Demeter Tzeli, Ioannis D. Petsalakis and Giannoula Theodorakopoulos
Phys. Chem. Chem. Phys., Vol: 13, No: 25 , published: 07 July 2011
Vibrational predissociation dynamics of Cl2(B)–He2: a wave packet study
A. García-Vela
Phys. Chem. Chem. Phys., Vol: 13, No: 25 , published: 07 July 2011
Stereocontrolled (3+2) cycloadditions between azomethine ylides and dipolarophiles: a fruitful interplay between theory and experiment
Abel de Cózar and Fernando P. Cossío
Phys. Chem. Chem. Phys., Vol: 13, No: 23 , published: 21 June 2011
Relaxation of Photoexcited Tris(2,2′-bipyridine)ruthenium Complex ([Ru(bpy)3]2+) in Mesopores
Minoru Sohmiya and Makoto Ogawa
Bull. Chem. Soc. Jpn., Vol: 84, No: 6 , published: 15 June 2011
Synthesis, Characterization, and Crystal Structures of Cis and Trans Isomers of a Platinate(II) Complex with D-Penicillaminate
Nobuto Yoshinari, Yuji Hashimoto, Asako Igashira-Kamiyama and Takumi Konno
Bull. Chem. Soc. Jpn., Vol: 84, No: 6 , published: 15 June 2011
Trifluoromethyl derivatives of cerium endohedral metallofullerenes
I. E. Kareev, V. P. Bubnov, E. B. Yagubskii
Изв. РАН. Сер. хим., Vol: 2011, No: 6 , published: 14 June 2011
Synthesis, structures, and photochromic properties of 3-[(E)-alk-1-enyl]-4-(1-alkyl-5-methoxy-2-methyl-1H-indol-3-yl)furan-2,5-diones
N. I. Makarova, P. V. Levchenko, V. V. Tkachev, E. N. Shepelenko, A. V. Metelitsa, et al.
Изв. РАН. Сер. хим., Vol: 2011, No: 6 , published: 14 June 2011
Effect of the solvent on the hydrolysis of the iron nitrosyl complex {Fe2[S(CH2)2NH3]2(NO)4}SO4·2.5H2O: spectroscopic and kinetic investigations of its monomer and dimer forms
L. A. Syrtsova, N. A. Sanina, B. L. Psikha, A. V. Kulikovб A. V. Chernyak, et al.
Изв. РАН. Сер. хим., Vol: 2011, No: 6 , published: 14 June 2011
Синтез, строение и динамика смешанно-лигандных комплексов кобальта с редокс-активным феноксазин-1-оном
Е. П. Ивахненко, Ю. В. Кощиенко, П. А. Князев, М. С. Коробов, А. В. Чернышев, К. А. Лысенко, В. И. Минкин
Докл. РАН, Vol: 438, No: 4 , published: 13 June 2011
Characterization of electronically excited states in anionic acetonitrile clusters
Julian Azar, Westin Kurlancheek, Martin Head-Gordon
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
On the interaction between supercritical CO2 and epoxides combining infrared absorption spectroscopy and quantum chemistry calculations
Stéphanie Foltran, Raphaël Méreau, Thierry Tassaing
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
Solvatochromism and fluoride sensing of thienyl-containing benzodiazaboroles
Stefanie Schwedler, Daniel Eickhoff, Regina Brockhinke, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
Electronic spectra and (hyper)polarizabilities of non-centrosymmetric D–A–D chromophores. An experimentally based three-state model and a theoretical TDDFT study of ketocyanines
Glauco Ponterini, Davide Vanossi, Zhanna A. Krasnaya, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
Electronically excited states of membrane fluorescent probe 4-dimethylaminochalcone. Results of quantum chemical calculations
Alexey N. Romanov, Samvel K. Gularyan, Boris M. Polyak, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
Identification of the EPR signal of S2 in green ultramarine pigments
Katarzyna Raulin, Noëlle Gobeltz, Hervé Vezin, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
The enthalpies of formation of AsXn  molecules, where X = H, F or Cl, and n = 1, 2 or 3, by RCCSD(T) and UCCSD(T)-F12x calculations
Daniel K. W. Mok, Edmond P. F. Lee, Foo-tim Chau, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
A 14N nuclear quadrupole resonance study of phase transitions and molecular dynamics in hydrogen bonded organic antiferroelectrics 55DMBP–H2ca and 1,5-NPD–H2ca
Janez Seliger, Veselko Žagar, Tetsuo Asaji, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
Комплексообразование дипирролилметена с солями галлия(III) и индия(III): спектральное исследование
Румянцев Е.В., Алешин С.Н., Антина Е.В.
Изв. вузов. Химия и хим. технол., Vol: 54, No: 1 , published: 26 May 2011
Предорганизация диарилиденацетонильных краунофанов в монокристаллах к фотохимическим превращениям
И. Г. Овчинникова, Д.К. Никулов, Е.В. Барташевич и др.
Изв. РАН. Сер. хим., Vol: 2011, No: 5 , published: 20 May 2011
Синтез и исследование свойств гибридных фотохромов, содержащих фульгимидный и салицилиденанилиновый фрагменты
С. И. Луйксаар, И.В. Платонова, М.М. Краюшкин и др.
Изв. РАН. Сер. хим., Vol: 2011, No: 5 , published: 20 May 2011
Синтез, кристаллическая структура и свойства 5- (гет) арил-3-циано-1-этил-2 (1Н) –пиразинонов
Е. В. Вербицкий, М.В. Березин, П.А. Слепухин и др.
Изв. РАН. Сер. хим., Vol: 2011, No: 5 , published: 20 May 2011
Биядерный нафтоатный комплекс цинка с 1, 10-фенантролином: синтез, строение и фотолюминесцентные свойства
А. Е. Гольдберг, М.А. Кискин, С.А. Козюхин
Изв. РАН. Сер. хим., Vol: 2011, No: 5 , published: 20 May 2011
Charge controlled changes in the cluster and spin dynamics of Sc3N@C80(CF3)2: the flexible spin density distribution and its impact on ESR spectra
Alexey A. Popov and Lothar Dunsch
Phys. Chem. Chem. Phys., Vol: 13, No: 19 , published: 20 May 2011
Исследование механизма образования 3-нитро-4-R-фуроксанов путем нитрозирования дикалиевых солей 1-гидроксимино-2, 2-динитро-1-R-этанов
И. В. Овчинников, Ю.А. Стреленко, Н.А. Попов и др.
Изв. РАН. Сер. хим., Vol: 2011, No: 5 , published: 20 May 2011
Cинтез имидазолилдитиокарбаматов и их реакции с фенацилбромидами
О. С. Ельцов, В.С. Мокрушин, М.В. Смирнова, М.З. Шафиков
Изв. РАН. Сер. хим., Vol: 2011, No: 5 , published: 20 May 2011
Реакции пиразиниевых солей с фенолами: от δH-аддуктов к продуктам SNH и трансформациям в бензо[b]фураны
Е. В. Вербицкий, Ю.А. Квашнин, П.А. Слепухин и др.
Изв. РАН. Сер. хим., Vol: 2011, No: 5 , published: 20 May 2011
Особенности гетероциклизации халконо-подандов с 3-амино-1, 2, 4-триазолом
И. Г. Овчинникова, М.С. Валова, Е.Г. Маточкина и др.
Изв. РАН. Сер. хим., Vol: 2011, No: 5 , published: 20 May 2011
Взаимодействие 1, 2, 4, 5-тетразинов с S-нуклеофилами
С. Г. Толщина, Р.И. Ишметова, Н.К. Игнатенко и др.
Изв. РАН. Сер. хим., Vol: 2011, No: 5 , published: 20 May 2011
Cинтез макробициклических соединений, содержащих фрагменты азакраун-эфиров, и изучение их комплексообразования с нитратами цинка и кадмия
М. В. Анохин, А.Д. Аверин, А.К. Буряк, И.П. Белецкая
Изв. РАН. Сер. хим., Vol: 2011, No: 5 , published: 20 May 2011
Theoretical Design of Hexacoordinate Hypervalent Carbon Compounds by Analyzing Substituent Effects
Hiromi Nakai, Masaki Okoshi, Teruo Atsumi, Yasuaki Kikuchi and Kin-ya Akiba
Bull. Chem. Soc. Jpn., Vol: 84, No: 5 , published: 19 May 2011
Simple Oligothiophene-Based Dyes for Dye-Sensitized Solar Cells (DSSCs): Anchoring Group Effects on Molecular Properties and Solar Cell Performance
Eigo Miyazaki, Takashi Okanishi, Yuki Suzuki, Nozomi Ishine, Hiroki Mori, Kazuo Takimiya and Yutaka Harima
Bull. Chem. Soc. Jpn., Vol: 84, No: 5 , published: 19 May 2011
Red/Near-Infrared Light-Emitting Organic–Inorganic Hybrids Doped with Covalently Bound Boron Dipyrromethene (BODIPY) Dyes via Microwave-Assisted One-Pot Process
Yuichi Kajiwara, Atsushi Nagai and Yoshiki Chujo
Bull. Chem. Soc. Jpn., Vol: 84, No: 5 , published: 19 May 2011
Control of Photophysical Properties of 1,8-Naphthalimides by Electron-Withdrawing Substituents Introduced into N-Alkyl Side Chains
Kazuhiko Matsubayashi, Chisato Kajimura, Yasuo Kubo, Toshitada Yoshihara and Seiji Tobita
Bull. Chem. Soc. Jpn., Vol: 84, No: 5 , published: 19 May 2011
Design, Generation, and Characterization of a 1,5-Hexadiene Bearing Two Lophyl Radicals as a Probe of the Stepwise Mechanism for the Cope Rearrangement
Hiroshi Ikeda, Kazuki Matsuo, Yasunori Matsui, Masaya Matsuoka and Kazuhiko Mizuno
Bull. Chem. Soc. Jpn., Vol: 84, No: 5 , published: 19 May 2011
Thermochromism and Magnetic Susceptibility of Copper(II) Anthracene-9-carboxylate
Manabu Kyuzou, Akihiro Maeda, Moritaka Wada, Syunya Watanabe, Tohru Takei, Tetsushi Ohmura, Yoshikazu Kowaguchi, Wasuke Mori and Jiro Tanaka
Bull. Chem. Soc. Jpn., Vol: 84, No: 5 , published: 19 May 2011
Methanol in its own gravy. A PCM study for simulation of vibrational spectra
Ferenc Billes, Ildikó Mohammed-Ziegler, Hans Mikosch
Phys. Chem. Chem. Phys., Vol: 13, No: 17 , published: 06 May 2011
Joint photoelectron and theoretical study of (RhmCon) (m = 1–5, n = 1–2) cluster anions and their neutral counterparts
Haopeng Wang, Yeon Jae Ko, Lius G. García, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 17 , published: 06 May 2011
Isomerization of spirobenzopyrans bearing electron-donating and electron-withdrawing groups in acidic aqueous solutions
Taku Satoh, Kimio Sumaru, Toshiyuki Takagi, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 16 , published: 29 April 2011
Fluorescence excitation and excited state intramolecular proton transfer of jet-cooled naphthol derivatives: Part 1. 1-hydroxy-2-naphthaldehyde
Annemarie McCarthy, Albert A. Ruth
Phys. Chem. Chem. Phys., Vol: 13, No: 16 , published: 29 April 2011
Structures and electronic properties of silicene clusters: a promising material for FET and hydrogen storage
Deepthi Jose, Ayan Datta
Phys. Chem. Chem. Phys., Vol: 13, No: 16 , published: 29 April 2011
Дизайн низкомолекулярных ингибиторов тромбина на основе цис-5-фенилпролинового молекулярного каркаса
К. В. Кудрявцев, Д.А. Шульга, В.И.Чупахин и др.
Изв. РАН. Сер. хим., Vol: 2011, No: 4 , published: 20 April 2011
Модификация биологически активных амидов и аминов фторсодержащими гетероциклами
В. Б. Соколов, А.Ю. Аксиненко, Т.А. Епишина и др.
Изв. РАН. Сер. хим., Vol: 2011, No: 4 , published: 20 April 2011
Синтез новых фторсодержащих пиразоло[3, 4-b]пиридинонов как перспективных предшественников лекарственных средств
А. С. Голубев, Г.С. Старостин, К.С. Чунихин и др.
Изв. РАН. Сер. хим., Vol: 2011, No: 4 , published: 20 April 2011
Синтез производных N- (фосфонометил) глицина и исследование их иммунотропной активности
М. В. Шевчук, Л.А. Метелица, Л.Л. Чарочкина и др.
Изв. РАН. Сер. хим., Vol: 2011, No: 4 , published: 20 April 2011
Proton-structure corrections to hyperfine splitting in muonic hydrogen
Carl E. Carlson, Vahagn Nazaryan, and Keith Griffioen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 19 April 2011
Изомеры некоторых виниловых и аллиловых соединений
Зайцева В. В., Тюрина Т.Г., Штонда А.В., Зайцев С.Ю.
Ж. общ. химии, Vol: 81, No: 4 , published: 15 April 2011
Синтез и свойства O, O-диалкил[1-гидрокси-3- (диалкиламино) -2, 2-диметилпропил]фосфонатов
Газизов М.Б., Зверев В.В., Хайруллин Р.А., и др.
Ж. общ. химии, Vol: 81, No: 4 , published: 15 April 2011
Многокомплексный синтез 2-алки (арил) тио-6-амино-3, 5-дициано-1, 4-дигидропиридин-4-спироциклоалканов. Молекулярная и кристаллическая структура 6-амино-2- (2-метилбензилтио) -3, 5-дициано-1, 4-дигидропиридин-4-спироциклопентана
В. Д. Дяченко, В. Н. Нестеров, И. В. Дяченко
Ж. общ. химии, Vol: 81, No: 4 , published: 15 April 2011
Energy Transfer and transcis Isomerization in Dendrimer Aggregates
Yousuke Miura, Atsuya Momotake, Tomoo Sato, Yoko Kanna, Masaya Moriyama, Yoshinobu Nishimura and Tatsuo Arai
Bull. Chem. Soc. Jpn., Vol: 84, No: 4 , published: 13 April 2011
Highly Efficient Photoinduced Electron Transfer in a Novel Tetrakis(tetraphenylporphyrinatozinc)/Perylenetetracarboxidiimide Array and Its Application to a Photovoltaic Device
Fuling Wang, Jianguo Tang, Jixian Liu, Yao Wang, Rui Wang, Lin Niu, Linjun Huang and Zhen Huang
Bull. Chem. Soc. Jpn., Vol: 84, No: 4 , published: 13 April 2011
Design and Synthesis of Fluorescent Probe for Polyhistidine Tag Using Macrocyclic Nickel(II) Complex and Fluorescein Conjugate
Masayasu Taki, Fumiyoshi Asahi, Tasuku Hirayama and Yukio Yamamoto
Bull. Chem. Soc. Jpn., Vol: 84, No: 4 , published: 13 April 2011
Characterization of Glycolipids in Light-Harvesting Chlorosomes from the Green Photosynthetic Bacterium Chlorobium tepidum
Taichi Yoshitomi, Tadashi Mizoguchi, Michio Kunieda and Hitoshi Tamiaki
Bull. Chem. Soc. Jpn., Vol: 84, No: 4 , published: 13 April 2011
First and second derivative of the wave function of the 1Σ+ states of the KH molecule
Neji Khelifi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 4 , published: 05 April 2011
Спиропираны и спирооксазины
А. В. Чернышев, И.В. Дороган, Н.А.Волошин, А.В. Метелица, В.И. Минкин
Изв. РАН. Сер. хим., Vol: 2011, No: 3 , published: 20 March 2011
Исследование зависимости электропроводности и некоторых свойств парамагнитных центров от глубины допирования поли (4-аминоазобензола) иодом
А. А. Дургарян, Н. А. Дургарян, Р. А. Аракелян
Изв. РАН. Сер. хим., Vol: 2011, No: 3 , published: 20 March 2011
Изучение методом спектроскопии ЭПР структурных характеристик и внутримолекулярных движений свободного радикала трис (3, 5-ди-трет-бутил-4-гидроксибензил) амина в толуоле
И. Р. Низамеев, В. И. Морозов, М. К. Кадиров
Изв. РАН. Сер. хим., Vol: 2011, No: 3 , published: 20 March 2011
Эфиры 3-оксо-3- (2-метилтиопиридин-3-ил) пропионовых кислот
А. А. Зубарев, В. К. Завьялова, А. М. Шестопалов
Изв. РАН. Сер. хим., Vol: 2011, No: 3 , published: 20 March 2011
Генерация ионов оксодиазония
М. С. Кленов, М.О. Ратников, А.М. Чураков и др.
Изв. РАН. Сер. хим., Vol: 2011, No: 3 , published: 20 March 2011
Синтез N-незамещенных 2-арилпиразоло[1, 5-а]бензимидазолов из 1-бензилиденамино-2-метилбензимидазола и роль в нем процессов ацилотропной и ацилотропно-прототропной изомеризации
Т. А. Кузьменко, Л. Н. Диваева, А. С. Морковник
Изв. РАН. Сер. хим., Vol: 2011, No: 3 , published: 20 March 2011
3-трифторацетамидобензоилтрифторацетон и комплексы европия на его основе
Семенов В.В., Золотарева Н.В., Домрачев Г.А.
Докл. РАН, Vol: 439, No: 3 , published: 18 March 2011
Halogen bonded complexes between volatile anaesthetics (chloroform, halothane, enflurane, isoflurane) and formaldehyde: a theoretical study
Zierkiewicz Wiktor, Wieczorek Robert, Hobza Pavel, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 11 , published: 18 March 2011
Inclusion Complexes of Cyclodextrins with Benzo[c]cinnoline, Phenanthridine, and Phenanthrene in Aqueous Solution Containing an Organic Ion Having a Long Alkyl Chain
Sanyo Hamai
Bull. Chem. Soc. Jpn., Vol: 84, No: 3 , published: 15 March 2011
The Organic-Transition Metal Complex and the Emission of Triplet States
Wu Shi-kang, Wang Peng-fei
Chin. J. Space Sci. = Kongjian kexue xuebao, Vol: 29, No: 2 , published: 29 February 2011
Hyperfine and Zeeman interactions of the a(1)[3Σ1+] state of PbO
A. N. Petrov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 28 February 2011
Strong interference effects in the resonant Auger decay of atoms induced by intense x-ray fields
Philipp V. Demekhin and Lorenz S. Cederbaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 25 February 2011
Фталоцианиновые комплексы европия (III) с 8-оксихинолином
Максимова К.Н., Базякина Н.Л., Суворова О.Н., et al.
Изв. РАН. Сер. хим., Vol: 2011, No: 2 , published: 20 February 2011
Самоорганизация супрамолекулярных ансамблей на основе краунсодержащих гетарилфенилэтенов, фталевой кислоты и катионов калия
Федоров Ю.В., Черникова Е.Ю., Перегудов А.С., et al.
Изв. РАН. Сер. хим., Vol: 2011, No: 2 , published: 20 February 2011
Design of optimally switchable molecules by genetic algorithms
Niss Ole Carstensen, Johannes M. Dieterich, Bernd Hartke
Phys. Chem. Chem. Phys., Vol: 13, No: 7 , published: 18 February 2011
Structure sensitivity of double inner-shell holes in sulfur-containing molecules
P. Linusson, O. Takahashi, K. Ueda, J. H. D. Eland, and R. Feifel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 18 February 2011
Electronic structure calculations of low-lying electronic states of O3
Huixian Han, Bingbing Suo, Daiqian Xie et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 7 , published: 18 February 2011
MRCI investigation of different isomers of Ni2O2H2+
Olaf Hübner, Hans-Jörg Himmel
Phys. Chem. Chem. Phys., Vol: 13, No: 7 , published: 18 February 2011
Determination of molecular hyperfine-structure constant using the second-order relativistic many-body perturbation theory
Malaya K. Nayak and Rajat K. Chaudhuri
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 14 February 2011
Cинтез и строение алкил-α-ариламино-ß -бром-ß-нитроакрилатов - новых функционализированных представителей ß-нитроенаминов
Берестовицкая В.М., Макаренко С.В., Коваленко К.С., Литвинов И.А., Криволапов Д.Б., Шевченко А.Д.
Ж. общ. химии, Vol: 81, No: 2 , published: 10 February 2011
Строение N,N-диметиламида 2-метил-3-(трихлоргермил)пропионовой кислоты и природа координационной связи GeO в ней по результатам расчетов abinitio
Фешин В.П., Фешина Е.В.
Ж. общ. химии, Vol: 81, No: 2 , published: 10 February 2011
Направленный синтез третичных фосфинхалькогенидов с пиридиновыми и гидроксильными функциями
Иванова Н.И., Волков П.А., Гусарова Н.К., Ларина Л.И., Трофимов Б.А.
Ж. общ. химии, Vol: 81, No: 2 , published: 10 February 2011
Фторсодержащие 2-бензоилциклогексан-1,3-дионы и их винилоговые хлорангидриды в реакциях с первичными и вторичными аминами
Хлебникова Т.С., Исакова В.Г., Лахвич Ф.А.
Ж. общ. химии, Vol: 81, No: 2 , published: 10 February 2011
Triplet-singlet conversion in ultracold Cs2 and production of ground-state molecules
Nadia Bouloufa, Marin Pichler, Mireille Aymar, and Olivier Dulieu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 08 February 2011
Enhanced Near-Infrared Luminescence of Yb(III) Complexes with Phosphine Oxide and Hexafluoroacetylacetonate Ligands
Shin-ichiro Kishimoto, Tetsuya Nakagawa, Tsuyoshi Kawai et al.
Bull. Chem. Soc. Jpn., Vol: 84, No: 2 , published: 06 February 2011
Synthesis and Characterization of 3d Metal Complexes Based on 1-(4-Nitrophenyl)imidazole
Ashish Kumar Singh, Mahendra Yadav and Daya Shankar Pandey
Bull. Chem. Soc. Jpn., Vol: 84, No: 2 , published: 06 February 2011
A Two-Dimensional Zinc(II)–Schiff Base Coordination Polymer Formed by Six-Membered Metallacyclic Repeating Motif: Structural Aspects, Thermal and Photophysical Properties
Dipali Sadhukhan, Aurkie Ray, Georgina Rosair, Loïc Charbonnière and Samiran Mitra
Bull. Chem. Soc. Jpn., Vol: 84, No: 2 , published: 06 February 2011
Structures and Luminescence Properties of Cyclometalated Dinuclear Platinum(II) Complexes Bridged by Pyridinethiolate Ions
Rie Aoki, Atsushi Kobayashi, Ho-Chol Chang and Masako Kato
Bull. Chem. Soc. Jpn., Vol: 84, No: 2 , published: 06 February 2011
Role of nuclear dynamics in the asymmetric molecular-frame photoelectron angular distributions for C 1s photoejection from CO2
S. Miyabe, D. J. Haxton, T. N. Rescigno, and C. W. McCurdy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 2 , published: 04 February 2011
Molecular mechanisms of the photostability of indigo
Shohei Yamazaki, Andrzej L. Sobolewski, Wolfgang Domcke
Phys. Chem. Chem. Phys., Vol: 13, No: 4 , published: 28 January 2011
The molecular mechanism of dual emission in terpyridine transition metal complexes—ultrafast investigations of photoinduced dynamics
Ronald Siebert, Andreas Winter, Ulrich S. Schubert, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 4 , published: 28 January 2011
Theoretical analysis based on X–H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X–H ···π complexes
Oscar Donoso-Tauda, Pablo Jaque, Juan C. Santos
Phys. Chem. Chem. Phys., Vol: 13, No: 4 , published: 28 January 2011
Valence photoionization and resonant Auger decay of Sb4 clusters at resonances below the 4d ionization threshold
S. Urpelainen, J. Niskanen, J. A. Kettunen, M. Huttula, and H. Aksela
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 28 January 2011
Synthesis of a Doubly Strapped Light-Harvesting Porphyrin Bearing Energy Donor Molecules Hanging on to the Straps: An Attempt toward Macroscopic Control over Molecular Conformation that Affects the Efficiency of Fluorescence Resonance Energy Transfer
Soichiro Ogi, Kazunori Sugiyasu, Masayuki Takeuchi
Bull. Chem. Soc. Jpn., Vol: 84, No: 1 , published: 15 January 2011
Influence of Electron-Donating and Electron-Withdrawing Substituents on the Chemiluminescence Behavior of Coelenterazine Analogs
Ryota Saito, Takashi Hirano, Shojiro Maki et al.
Bull. Chem. Soc. Jpn., Vol: 84, No: 1 , published: 15 January 2011
Квантово-химическое исследование связи спектрально-люминесцентных свойств положительно сольватохромных мероцианиновых красителей на основе малононитрила с их строением
Э. Р. Кашапова, О. К. Базыль, В. А. Светличный, et al.
Оптика и спектроскопия, Vol: 110, No: 1 , published: 13 January 2011
Перенос энергии возбуждения в хелате европия с доксициклином в присутствии второго лиганда в мицеллярных растворах неионных ПАВ
Т. Д. Смирнова, С. Н. Штыков, В. И. Кочубей, et al.
Оптика и спектроскопия, Vol: 110, No: 1 , published: 13 January 2011
Супрамолекулярные ансамбли на основе донорно-акцепторных взаимодействий порфиринов
Пуховская С.Г., Гусева Л.Ж., Семейкин А.С., Голубчиков О.А.
Ж. общ. химии, Vol: 81, No: 1 , published: 13 January 2011
Quantum-Chemical Study of the Solvent Effect on the Formation Ability of Complexes Acetamide and N,N-Dimethylacetamide with Metals
Maia Tsintsadze , Jumber Kereselidze
Bull. Georg. Nat. Acad. Sci., Vol: 5, No: 1 , published: 08 January 2011
Empty level structure of boryl-substituted pentacyclic heteroaromatics
Alberto Modell, Derek Jones
Phys. Chem. Chem. Phys., Vol: 13, No: 1 , published: 07 January 2011
Hyperfine-resolved 3.4-μm spectroscopy of CH3I with a widely tunable difference frequency generation source and a cavity-enhanced cell: A case study of a local Coriolis interaction between the v1=1 and (v2,v6l)=(1,22) states
Sho Okubo, Hirotaka Nakayama, and Hiroyuki Sasada
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 83, No: 1 , published: 07 January 2011
Adiabatic hyperspherical study of weakly bound helium–helium–alkali-metal triatomic systems
Hiroya Suno and B. D. Esry
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 6 , published: 29 December 2010
Раскрытие дигидрофуранового цикла в реакции 2,3-дигидрофуро_(3,2-с_)кумарин-3-она с арилгидразинами
Кондратова Н.А./Соловьева Н.П./Травень В.Ф.
Изв. РАН. Сер. хим., Vol: 2010, No: 8 , published: 28 December 2010
Особенности состояния и флуоресценция пирена в перфторсульфоновой мембране
А. А. Курова, А. Н. Борисов, В. Н. Пак
Ж. общ. химии, Vol: 80, No: 12 , published: 28 December 2010
Синтез и свойства медных и кобальтовых комплексов фталоцианинов, аннелированных азотсодержащими гетероциклическими хинонами
Криушкина М. А., Борисов А.В., Пак В.Н.
Ж. общ. химии, Vol: 80, No: 12 , published: 28 December 2010
Влияние электронных и геометрических факторов макроцикла перекрытых порфиринатов цинка на их окислительно-восстановительные свойства в реакции с органическими пероксидами
О. Р. Симонова, С. А. Зданович, С. В. Зайцева
Ж. общ. химии, Vol: 80, No: 12 , published: 28 December 2010
Расширение диазиридинового цикла в 6-арил-1,5-диазабицикло_(3.1.0_)гексанах при взаимодействии с активированными олефинами в ионных жидкостях
Сыроешкина Ю.С./Ферштат Л.Л./Качала В.В./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 8 , published: 28 December 2010
Фото- и электролюминесценция координационных соединений Eu (III) и Tb (III) в тонких пленках поливинилкарбазола
Еремина Н. С., Дегтяренко К.М., Гадиров Р.М., et al.
Изв. вузов. Физ., Vol: 53, No: 12 , published: 23 December 2010
Synthesis and properties of 2,2'-di(heteroaryl)-9,9'-spirobifluorenes
Jahng Y./Rahman A.F.M.M.
Bull. Chem. Soc. Jpn., Vol: 83, No: 6 , published: 16 December 2010
Sytnhesis, crystal spectures, and magnetic properties of dinuclear and hexanuclear copper(II) complexes with cyclam-based macrocyclic ligands having four schiff-base pendant arms
Wada S./Saka K./Yoshioka D./Mikuriya M.
Bull. Chem. Soc. Jpn., Vol: 83, No: 4 , published: 16 December 2010
Preparations and photosensitizing properties of 2,7,12,17-tetra-n-propylporphycenatotin(IV) dihalide complexes
Taneda M./Maeda D./Shimakoshi H./et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 6 , published: 16 December 2010
Ionicity Phase Diagram of Trifluoromethyl-TCNQ (CF3TCNQ) Charge-Transfer Solids
Gunzi Saito, Hideo Ikegami, Yukihiro Yoshida et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 12 , published: 15 December 2010
Diastereoselective Michael Addition of Magnesium Amide to O-(2-Alkenoyl)TEMPOs and Comparison of Reactivity with Acyl Substituent-Modified Carboxylic Analogues
Li-Jian Ma, Zhen-Wu Mei, Keisuke Toyohara et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 12 , published: 15 December 2010
Theoretical Study on the Electronic Configurations and Nature of Chemical Bonds of Dirhodium Tetraacetato Complexes [Rh2(CH3COO)4(L)2 (L = H2O, Free): Broken Symmetry Approach
Yusuke Kataoka, Yasutaka Kitagawa, Toru Saito et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 12 , published: 15 December 2010
Inclusion of Methyl 2-Naphthalenecarboxylate and Dimethyl 2,3-, 2,6-, and 2,7-Naphthalenedicarboxylates by Cyclodextrins in Aqueous Solution
Sanyo Hamai
Bull. Chem. Soc. Jpn., Vol: 83, No: 12 , published: 15 December 2010
Pyrazolato- and 3,5-Dimethylpyrazolato-Bridged Dinuclear Platinum(II), Palladium(II), and Their Mixed-Metal Complexes of 2,2′-Bipyrimidine. Syntheses, Structures, and Luminescent Properties
Keisuke Umakoshi, Kazutoyo Kimura, Yong Hun Kim et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 12 , published: 15 December 2010
Carbazole endcapped heterofluorenes as host materials: theoretical study of their structural, electronic, and optical properties
Jun Yin, Sheng-Lan Zhang, Run-Feng Chen
Phys. Chem. Chem. Phys., Vol: 12, No: 47 , published: 10 December 2010
The quest for the hydroxyl-peroxy radical
Smith Ian W.M./Le Picard Sebastien D./Tizniti Meryem/et al.
Z. phys. Chem., Vol: 224, No: 7-8 , published: 10 December 2010
Electronic state dependence of the ion–molecule reaction CH3CN+ + CH3CN → CH4CN+ + CH2CN: threshold electron–secondary ion coincidence (TESICO) and direct ab initio molecular dynamics study
Hiroto Tachikawa, Takahiro Fukuzumi, Kazushige Inaoka et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 47 , published: 10 December 2010
Progress toward the electron electric-dipole-moment search: Theoretical study of the PbF molecule
K. I. Baklanov, A. N. Petrov, A. V. Titov, and M. G. Kozlov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 6 , published: 08 December 2010
Спироксазин и фульгимид с функциональными аминогруппами для наноструктурированных фотохромных систем
Карпузов Е.А./Шиенок А.И./Кольцова Л.С./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 7 , published: 03 December 2010
Реакции нуклеофильного замещения и циклизации с участием кватернизованных 3-диметил-аминометильных производных 3,4-бис(индол-1-ил)малеинимида и 3-(индол-1-ил)-4-(индолин-1-ил)малеинимида
Симонов А.Ю./Лакатош С.А./Лузиков Ю.Н./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 7 , published: 03 December 2010
Синтез N-алкилтиадиазолмакрогетероциклических соединений АВВВ-типа
Меленчук Т.В./Данилова Е.А./Исляйкин М.К.
Ж. общ. химии, Vol: 80, No: 7 , published: 03 December 2010
Синтез 1-моно- и 1,2-бисацилпиразолидинов и 1-фрилсульфонилпиразолинов
Петухов В.Ю./Масленников В.А./Кузнецов В.В./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 7 , published: 03 December 2010
Взаимодействие 1-арилметилденпиразолидин-1-азометилниминов с арилкетенами
Сыроешкина Ю.С./Петухова В.Ю./Качала В.В./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 7 , published: 03 December 2010
Синтез фосфорилированных производных фуроилглицина и фуроил-_b-аланина
Певзнер Л.М.
Ж. общ. химии, Vol: 80, No: 7 , published: 03 December 2010
Новые гетеросилоканы _- 1,1-дифтор- и 1-фенил-1-фтор-2,8-диокса-5-халькогеносилоканы
Воронков М.Г./Трофимова О.М./Гребнева Е.А./и др.
Ж. общ. химии, Vol: 80, No: 7 , published: 03 December 2010
Синтез и исследование молекулярной структуры некоторых 8_a-аналогов стероидных эстрогенов
Морозкина С.Н./Абусалимов Ш.Н./Старова Г.Л./и др.
Ж. общ. химии, Vol: 80, No: 7 , published: 03 December 2010
Hyperfine, rotational, and vibrational structure of the a3Σu+ state of 87Rb2
C. Strauss, T. Takekoshi, F. Lang, K. Winkler, R. Grimm, J. Hecker Denschlag, and E. Tiemann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 19 November 2010
Gas-phase isolation of diethyl guanosine 5′-monophosphate and its conformational assignment
Hiroya Asami, Masaki Tsukamoto, Yoshihiro Hayakawa et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 42 , published: 05 November 2010
Optical properties of protonated Rhodamine 19 isomers in solution and in the gas phase
Konstantin Chingin, Roman M. Balabin, Vladimir Frankevich et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 42 , published: 05 November 2010
Excited state distortions in a charge transfer state of a donor–acceptor [2]rotaxane
Rachel M. Stephenson, Xianghuai Wang, Ali Coskun et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 42 , published: 05 November 2010
Theoretical and experimental investigation of the structural and spectroscopic properties of coumarin 343 fluoroionophores
Edith Botek, Philippe d'Antuono, Agnès Jacques et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 42 , published: 05 November 2010
Investigating the electronic structure and bonding in uranyl compounds by combining NEXAFSspectroscopy and quantum chemistry
Clara Fillaux, Dominique Guillaumont, Jean-Claude Berthet
Phys. Chem. Chem. Phys., Vol: 12, No: 42 , published: 05 November 2010
The complexes of halothane with benzene: the temperature dependent direction of the complexation shift of the aliphatic C–H stretching
Bart Michielsen, Johan J. J. Dom, Benjamin J. et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 42 , published: 05 November 2010
Hydrogen bonding and structure of uracil–water and thymine–water complexes
Juan Carlos López, José Luis Alonso, Isabel Peña et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 42 , published: 05 November 2010
Characterization of C–Hπ interactions in the structure of the CHClF2–HCCH weakly bound complex
John M. Sexton, Ashley A. Elliott, Amanda L. Steber et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 42 , published: 05 November 2010
Modulation of iridium(III) phosphorescence via photochromic ligands: a density functional theory study
Xin Li, Qiong Zhang, Yaoquan Tu, Hans Ågren et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 41 , published: 29 October 2010
Trends in MH2n+ ion–quadrupole complexes (M = Li, Be, Na, Mg, K, Ca; n = 1, 2) using ab initio methods
Alister J. Page, David J. D. Wilson, et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 41 , published: 29 October 2010
Theoretical investigation of the conformation, acidity, basicity and hydrogen bonding ability of halogenated ethers
Wiktor Zierkiewicz, Danuta Michalska, Thérèse Zeegers-Huyskens
Phys. Chem. Chem. Phys., Vol: 12, No: 41 , published: 29 October 2010
2,1,3-Benzothiadiazole Dimers: Preparation, Structure, and Transannular Electronic Interactions of syn- and anti-[2.2](4,7)Benzothiadiazolophanes
Motonori Watanabe, Kenta Goto, Mamoru Fujitsuka, et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 10 , published: 24 October 2010
Fluorescence Color Change of a Boron-Substituted Diarylazomethine by Reaction with a Cyanide Ion
Junro Yoshino, Naokazu Kano, Takayuki Kawashima
Bull. Chem. Soc. Jpn., Vol: 83, No: 10 , published: 24 October 2010
Preparation, Crystal Structures, and Spectroscopic and Chemical Properties of 2,4,6-Trifluorophenyl- or 4-(Methoxycarbonyl)phenyl-Substituted (E)-1-(3-Guaiazulenyl)ethylene and (2E,4E)-1-(3-Guaiazulenyl)-1,3-butadiene Derivatives
Shinichi Takekuma, Hiroto Matsuoka, Syoutarou Ogawa, et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 10 , published: 24 October 2010
Predissociation and collisional transfer of the high-lying state of the Na[2] ({3}_L[u])
Wang Xueyan/Zhou Dongdong/Wang Dagui/et al.
Chin. J. Lasers=Zhongguo jiguang, Vol: 37, No: 4 , published: 20 October 2010
Сильное квадрупольное взаимодействие света с молекулами и его проявление в спектрах усиленного гиперкомбинационного рассеяния
Полуботко А.М.
Оптика и спектроскопия, Vol: 109, No: 4 , published: 15 October 2010
Conformational equilibria in vanillin and ethylvanillin
Emilio J. Cocinero, Alberto Lesarri, Patricia Écija et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 39 , published: 15 October 2010
Комплексообразование краунсодержащих бутадиенильных красителей с катионами щелочных и щелочноземельных металлов в основном и возбужденном электронном состояниях
Русалов М.В./Ужинов Б.М./Алфимов М.В./Громов С.П.
Изв. РАН. Сер. хим., Vol: 2010, No: 6 , published: 13 October 2010
Термохимическое исследование газообразных солей кислородсодержащих кислот. XXV. Бораты магния
Лопатин С.И./Шугуров С.М./Столярова В.Л.
Ж. общ. химии, Vol: 80, No: 3 , published: 13 October 2010
Нитропроизводные N-алкилбензоаза-15-краун-5-эфиров: синтез, строение и комплексообразование с катионами металлов и аммония
Дмитриева С.Н./Чуракова М.В./Курчавов Н.А./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 6 , published: 13 October 2010
Time-dependent density functional theory calculations of the spectroscopy of core electrons
Nicholas A. Besley, Frans A. Asmuruf
Phys. Chem. Chem. Phys., Vol: 12, No: 38 , published: 08 October 2010
δ-Bonding in the [Pd44-C9H9)(μ4-C8H8)]+ sandwich complex
Alina P. Sergeeva, Alexander I. Boldyrev
Phys. Chem. Chem. Phys., Vol: 12, No: 38 , published: 08 October 2010
Magnetic silicon fullerene
Wang Jing/Liu Ying/Li You-Cheng
Phys. Chem. Chem. Phys., Vol: 12, No: 37 , published: 01 October 2010
A theoretical study on the spectroscopy and the radiative and non-radiative relaxation rate constants of the S01A1—S11A2 vibronic transitions of romaldehyde
Lin Chih-Kai/Li Ming-Chung/Yamaki Masahiro/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 37 , published: 01 October 2010
The effectiveness of essential-state models in the descirption of potical properties of branched push-pull chromophores
Sissa Cristina/Parthasarathy Venkatakrishnan/Drouin-Kucma Delphine/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 37 , published: 01 October 2010
Extension of the AMBER force-field for the study of large nitroxides in condensed phases: an ab initio parameterization
Stendardo Emiliano/Pedone Alfonso/Cimino Paola/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 37 , published: 01 October 2010
The keto/enol tautomerism in acetoacetyl fluoride: properties, spectroscopy, and gas-phase and crystal structures of the enol form
Belova Natalya V./Oberhammer Heinz/Zeng Xiaoqing/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 37 , published: 01 October 2010
Новые нематогенные _b-дикетоны для синтеза лантанидомезогенов
Князев А.А./Джабаров В.И./Лапаев Д.В./и др.
Ж. общ. химии, Vol: 80, No: 4 , published: 24 September 2010
Взаимодействие _b-иминоспиртов с сернистым ангидридом. Синтез (_+)-(2-гидроксиалкиламино)-фенил(изопропил)-метансульфоновых кислот
Грязнов П.И./Катаева О.Н./Наумова О.Е./и др.
Ж. общ. химии, Vol: 80, No: 4 , published: 24 September 2010
Люминесценция связанных форм оснований Шиффа в перфторсульфоновой мембране
Курова А.А./Борисов А.Н./Пак В.Н.
Ж. общ. химии, Vol: 80, No: 4 , published: 24 September 2010
Квантово-химический расчет методом функционала плотности рентгеновских флуоресцентных спектров димерного карбонила марганца Mn[2](CO)[10]
Власенко В.Г./Шуваев А.Т./Зарубин И.А.
Ж. структур. химии, Vol: 51, No: 2 , published: 24 September 2010
Комплексы элементов 14 группы с тридентатным редокс-активным лигандом
Пискунов А.В./Сухошкина О.Ю./Смолянинов И.В.
Ж. общ. химии, Vol: 80, No: 4 , published: 24 September 2010
Супрамолекулярное комплексообразование имидазола с дихлоро-(5,10,15,20-тетрафенилпорфинато)цирконием(IV)
Моторина Е.В./Ломова Т.Н.
Ж. общ. химии, Vol: 80, No: 4 , published: 24 September 2010
Структура цинк-5,15-ди(орто-метоксифенил)октаалкилпорфиринов, и их свойства в реакции с органическими пероксидами в присутствии пиридина
Зайцева С.В./Симонова О.Р./Сойфман О.И.
Ж. общ. химии, Vol: 80, No: 4 , published: 24 September 2010
Theoretical insights into the properties of the XY-YX... M{n+} complexes (X=H, F, Cl; Y=C, Si; M = alkaline and alkaline earth metals)
Ghiasi R.
Ж. структур. химии, Vol: 51, No: 2 , published: 24 September 2010
Структурные и термодинамические характеристики ионных ассоциатов в парах над бромидом и иодидом натрия
Погребная Т.П./Погребной А.М./Кудин Л.С.
Ж. структур. химии, Vol: 51, No: 2 , published: 24 September 2010
Синтез производных С-гетерилзамещенных аминометилфосфоновых кислот
Головченко А.В./Соломянный Р.Н./Броварец В.С.
Ж. общ. химии, Vol: 80, No: 4 , published: 24 September 2010
Конформационный анализ 2-метил-5-нитро-1,3,2-диоксаборинана
Валиахметова О.Ю./Бочкор С.А./Кузнецов В.В.
Ж. общ. химии, Vol: 80, No: 4 , published: 24 September 2010
Изучение региоселективности алкилирования 5-замещенных тетразолов хлорацетамидами
Походыло Н.Т./Савка Р.Д./Матийчук В.С./Обушак Н.Д.
Ж. общ. химии, Vol: 80, No: 4 , published: 24 September 2010
Спектральные свойства, структура и фотоиндуцированное перемещение 4-(2-нафтил)пиридина в полостях циклодекстринов
Назаров В.Б./Авакян В.Г./Громов С.П./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 5 , published: 22 September 2010
Строение и фотохромные свойства нафто_(1,2-b_)фурил- и бензо_(g_)индолилфульгидов
Баленко С.К./Макарова Н.И./Рыбалкин В.П./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 5 , published: 22 September 2010
Строение и сольватохромные свойства продуктов азосочетания 2,3-дигидрофуро_(3,2-c_)кумарин-3-она
Кондратова Н.А./Соловьева Н.П./Акчурин И.О./Травень В.Ф.
Изв. РАН. Сер. хим., Vol: 2010, No: 5 , published: 22 September 2010
Циклоприсоединение циклических диазосоединений к фуллерену C[60] в присутствии Pd-содержащего комплексного катализатора
Туктаров А.Р./Королев В.В./Тулябаев А.Р./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 5 , published: 22 September 2010
Влияние гидратации на люминесцентные свойства 2,2-дифторо-4-метилнафто_(2,1-e_)_(1,3,2_)-диоксаборина. Квантово-химическое моделирование и эксперимент
Федоренко Е.В./Львов И.Б./Вовна В.И./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 5 , published: 22 September 2010
Оценка прочности связей Si_-C в каркасных метилсилсесквиоксанах и металлометилсилсесквиоксанах на основе расчетов методом функционала плотности
Борисов Ю.А./Папков В.С./Сергиенко Н.В./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 5 , published: 22 September 2010
Расчеты методом функционала плотности взаимодействия треонин_-Gd{+} в комплексах _(Gd(Thr)[n]_){2+} (n=1_-3)
Монажеми М./Баеи М.Т./Молла-амин Ф.
Изв. РАН. Сер. хим., Vol: 2010, No: 5 , published: 22 September 2010
Энергии связей и энтальпии образования моно- и полирадикалов в нитроалканах. Сообщ. 2. Нитропроизводные этана и пропана
Мирошниченко Е.А./Конькова Т.С./Иноземцев Я.О./Матюшин Ю.Н.
Изв. РАН. Сер. хим., Vol: 2010, No: 5 , published: 22 September 2010
Электронная структура p-систем. Изучение электронной структуры и таутомерных превращений ряда 4-метил-8-(R'-фенилазо)дигидрофуро_(2,3-h_)кумарин-9-онов
Сафронова О.Б./Филиппова Н.Л./Сахарук И.И./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 5 , published: 22 September 2010
Производные кубана. Сообщ. 10. Синтез и молекулярные структуры нитроксиметилкубанов
Романова Л.Б./Баринова Л.С./Захаров В.В./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 5 , published: 22 September 2010
Three structural isomers of dinaphthothieno_(3,2-b_)thiophenes: elucidation of physicochemical properties, crystal structures, and field-effect transistor characteristics
Yamamoto Tatsuya/Shinamura Shoji/Miyazaki Eigo/Takimiya Kazuo
Bull. Chem. Soc. Jpn., Vol: 83, No: 2 , published: 21 September 2010
Synthesis and structure of group 10 metal complexes with new tripodal tetradentate ligand bearing one phosphine and three thioether moieties
Takeda Nobuhiro/Tanaka Yusuke/Sakakibara Fumiaki/Unno Masafumi
Bull. Chem. Soc. Jpn., Vol: 83, No: 2 , published: 21 September 2010
Electronic structure of 9-mesityl-10-methylacridinium in ground and excited states: charge-shift mechanism introduced by counter anion shift
Zilberg Shmuel
Phys. Chem. Chem. Phys., Vol: 12, No: 35 , published: 17 September 2010
Experimental and theoretical study on activation of the C-H bond in pyridine by [Mm]- (M=Cu, Ag, Au, m=1-3)
Liu Xiao-Jing, Hamilton I.P., Han Ke-Li, Tang Zi-Chao
Phys. Chem. Chem. Phys., Vol: 12, No: 35 , published: 17 September 2010
Рентгенофотоэлектронные Mn3s-спектры в полиядерных триметилацетатных комплексах марганца
Кочур А.Г./Иванова Т.М./Щукарев А.В./и др.
Изв. РАН. Сер. физ., Vol: 74, No: 5 , published: 16 September 2010
1,7-Дитиоксозамещенные системы. Синтез, строение и фотопроводимость бис(5,5-диметил-3-гидразоноциклогекс-1-енил)сульфида
Тимохина Л.В./Смирнов В.И./Шевченко С.Г./и др.
Ж. общ. химии, Vol: 80, No: 2 , published: 15 September 2010
Kinetic Analysis for the Effect of Intramolecular Hydrogen Bonding on Photophysical Properties of N-Hydroxyalkyl-1,8-naphthalimides
 Kazuhiko Matsubayashi, Chisato Kajimura, Hideo Shiratori et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 9 , published: 15 September 2010
Электрохимический и химический синтезы новых люминесцирующих комплексов оснований Шиффа
Гарновский А.Д./Бурлов А.С./Метелица А.В./и др.
Ж. общ. химии, Vol: 80, No: 2 , published: 15 September 2010
Синтез (тетрабензопорфиринато)хлоромарганца(III) и его спектральные характеристики
Шейнин В.Б./Чижова Н.В./Романова А.О.
Ж. общ. химии, Vol: 80, No: 2 , published: 15 September 2010
Manganese(II), Nickel(II), and Palladium(II) Complexes of a Terpyridine-Like Ligand Containing a Sulfur Linkage, and an Analogous NCN Pincer Palladium(II) Complex: Synthesis, Characterization, and Pd-Catalyzed Reactions
Masakazu Hirotsu, Yuhei Tsukahara, Isamu Kinoshita
Bull. Chem. Soc. Jpn., Vol: 83, No: 9 , published: 15 September 2010
О проявлении электроноядерной динамики в спектрах ЯКР {59}Co в ряду производных _p-циклопентадиенил-_p-(3)-1,2-дикарболлилкобальта
Семин Г.К./Брюхова Е.В.
Ж. физ. химии, Vol: 84, No: 2 , published: 15 September 2010
Anomalous H/D Isotope Effect on 35Cl NQR Frequencies and H/D Isotope Effect on 1H MAS NMR Spectra in Pyrrolidinium p-Chlorobenzoate
Ryo Nakano, Hisashi Honda, Taiki Kimura et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 9 , published: 15 September 2010
Молекулярный распад олефинов: кинетические параметры и геометрия переходного состояния
Покидова Т.С./Денисов Е.Т./Шестаков А.Ф.
Ж. физ. химии, Vol: 84, No: 3 , published: 14 September 2010
Об оценках потенциала взаимодействия между двумя атомами
Малышев В.А./Минлос Р.А.
Теор. и мат. физ., Vol: 162, No: 3 , published: 10 September 2010
Термическая устойчивость линейных олигомеров, построенных из кубиленовых единиц
Маслов М.М.
Хим. физ., Vol: 29, No: 2 , published: 10 September 2010
Новые производные глицирретовой кислоты: синтез и биологическая активность
Саломатина О.В./Логашенко Е.Б./Корчагина Д.В./и др.
Докл. РАН, Vol: 430, No: 4 , published: 10 September 2010
Synthesis, characterization and CMC determination of some double-chain surfactant-cobalt(III) complexes
Sasikala K./Senthil Kumar R./Arunachalam S.
Z. phys. Chem., Vol: 224, No: 9 , published: 08 September 2010
Статистический анализ волновых чисел триплетных ровибронных переходов молекулы D[2]. III. Оптимальные значения энергии уровней
Лавров Б.П./Умрихин И.С.
Хим. физ., Vol: 29, No: 3 , published: 07 September 2010
Ab initio simulation of UV/vis absorption spectra for atmospheric modeling: method design for medium-sized molecules
Melnichuk Anna, Perera Ajith, Bartlett Rodney J.
Phys. Chem. Chem. Phys., Vol: 12, No: 33 , published: 03 September 2010
Modelling the spectroscopy and dynamics of plastocyanin
Robinson David, Besley Nicholas
Phys. Chem. Chem. Phys., Vol: 12, No: 33 , published: 03 September 2010
Fluorescence and chemiluminescence properties of indolymaleimides: experimental and theoretical studies
Nakazono Manabu, Jinguji Ai, Nanbu Shinkoh et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 33 , published: 03 September 2010
Bis(tetrathiafulvalenes) with aromatic bridges: electron delocalization in the oxidized species through EPR and theoretical studies
Riobe Francois, Avarvari Niarcis, Grosshans Philippe et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 33 , published: 03 September 2010
Synthesis and properties of secondary thiocarbamoylsilanes
Murai Toshiaki/Hori Rumi
Bull. Chem. Soc. Jpn., Vol: 83, No: 1 , published: 31 August 2010
Direct Absorption Spectroscopy of CO2 Using a Coherent White Light Continuum
Toshihiro Somekawa, Masayuki Fujita, Yasukazu Izawa
Appl. Phys. Express, Vol: 3, No: 8 , published: 24 August 2010
Исследование электронного строения молекул гексафторбензола и пентафторбензола методом ультрамягкой рентгеновской эмиссии
Давыдова Н.В./Юматов В.Д.
Ж. физ. химии, Vol: 84, No: 1 , published: 16 August 2010
Новая основа для описания периодичности
Имянитов Н.С.
Ж. общ. химии, Vol: 80, No: 1 , published: 10 August 2010
Electronic absorption and vibrational spectra and nonlinear optical properties of 4-methoxy-2-nitroaniline
Ravikumar C./Joe I. Hubert
Phys. Chem. Chem. Phys., Vol: 12, No: 32 , published: 06 August 2010
Paracyclophanes as model compounds for strongly interacting π-systems. Pt 1. Pseudo-ortho-dihydroxy[2.2]paracyclophane
Schon Christof/Roth Wolfgang/Fischer Ingo/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 32 , published: 06 August 2010
Thioxanthone: on the shape of the first absorption band
Rai-Constapel Vidisha/Kleinschmidt Martin/Salzmann Susanne/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 32 , published: 06 August 2010
Time-dependent density functional theory study on the coexistent intermolecular hydrogen-bonding and dihydrogen-bonding of the phenol-H2O-diethylmethylsilane complex in electronic excited states
Wei Ning-Ning/Hao Ce/Xiu Zhilong/Qiu Jieshan
Phys. Chem. Chem. Phys., Vol: 12, No: 32 , published: 06 August 2010
A comparison of methods for measuring relative radical stabilities of carbon-centred radicals
Coote Michelle L., Lin Ching Yeh, Beckwith Athelstan L.J., Zavitsas Andreas A.
Phys. Chem. Chem. Phys., Vol: 12, No: 33 , published: 03 August 2010
Covalent gold
Wang Lai-Sheng
Phys. Chem. Chem. Phys., Vol: 12, No: 31 , published: 30 July 2010
Assigment of carotene S* state features to the vibrationally hot ground electronic state
Lenzer Thomas/Ehlers Florian/Scholz Mirko/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 31 , published: 30 July 2010
Möbius basket molecule: structure and properties
Wang Yin-Feng/Li Zhuo/Li Ying/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 31 , published: 30 July 2010
Photophysical and structural properties of the fluorescent nucleobase analogues of the tricyclic cytosine (tC) family
Preus Soren/Kilsa Kristine/Wihelmsson L. Marcus/Albinsson Bo
Phys. Chem. Chem. Phys., Vol: 12, No: 31 , published: 30 July 2010
Which strategy for molecular probe design? An answer from the integration of spectroscopy and QM modeling
Marini Alberto/Munoz-Losa Aurora/Pucci Andrea/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 31 , published: 30 July 2010
Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: a combined experimental and theoretical investigation
Cheng Shibo/Song Peng/Yang Songqiu/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 31 , published: 30 July 2010
Effect of deprotonation on absorption and emission spectra of Ru(II)-bpy complexes functionalized with carboxyl groups
Badaeva Ekaterina/Albert Victor V./Kilina Svetlana/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 31 , published: 30 July 2010
Franck—Condon simulation of the photoelectron spectrum of AsF2 and the photodetachment spectrum of AsF2- using ab initio calculations: ionization energy and electron affinity of AsF2
Mok Daniel K.W./Lee Edmond P.F./Chau Foo-tim/Dyke John M.
Phys. Chem. Chem. Phys., Vol: 12, No: 31 , published: 30 July 2010
On the identity on the radiation induced radical
Pauwels Ewald/De Cooman Hendrik/Daroquier Michel/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 31 , published: 30 July 2010
EPR spectrum of the Y@C[82] metallofullerene isolated in solid argon matrix: hyperfine structure from EPR spectroscopy and relativistic DFT calculations
Misochko Eugenii Ya./Akimov Alexander V./Belov Vasilii A./et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 31 , published: 30 July 2010
Ab initio anharmonic vibrational frequency predictions for linear proton-bound complexes OC—H+—CO and N2—H+—N2
Terrill Kasia/Nesbitt David J.
Phys. Chem. Chem. Phys., Vol: 12, No: 29 , published: 16 July 2010
Hydrogen exchange in formic acid dimer: tunnelling above the barrier
Luckhaus David
Phys. Chem. Chem. Phys., Vol: 12, No: 29 , published: 16 July 2010
TD-DFT simulations of the electronic properties of star-shaped photochromes
Jacquemin Denis/Perpete Eric A./Maurel Francois/Perrier Aurelie
Phys. Chem. Chem. Phys., Vol: 12, No: 28 , published: 09 July 2010
An endohedral redox system in a fullerene cage: the Ce based mixed-metal cluster fullerene Lu2CeN@C80
Zhang Lin/Popov Alexey A./Yang Shangfeng/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 28 , published: 09 July 2010
Planar vs. twisted intramolecular charge transfer mehcanism in Nile Red: new hints from theory
Guido Ciro A./Mennucci Benedetta/Jacquemin/Adamo Carlo
Phys. Chem. Chem. Phys., Vol: 12, No: 28 , published: 09 July 2010
Photophysics of aromatic thiourea direvatives and their complexes with anions. Fast and ultrafast spectroscopic investigations
Del Giacco Tiziana/Carlotti Benedetta/De Solis Stefano/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 28 , published: 09 July 2010
Interrogating the ultrafast dynamics of an efficient dye for sunlight conversion
Ziolek Marcin/Yang Xichuan/Sun Licheng/Douhal Abderrazzak
Phys. Chem. Chem. Phys., Vol: 12, No: 28 , published: 09 July 2010
Extended Forster theory: a quantitative approach to the determination of inter-chromophore distances in biomacromolecules
Opanasyuk Oleg/Johansson Lennart B.-A.
Phys. Chem. Chem. Phys., Vol: 12, No: 28 , published: 09 July 2010
Theoretical investigation of the reactions of La atom and La+ cation with carbonyl sulfide
Dai Guo-Liang/Wang Chuan-Feng/Jin Yan-Xian/et al.
Ж. физ. химии, Vol: 84, No: 6 , published: 08 July 2010
Энергия пероксидной связи в пероксизамещенных силанах и энтальпии образования силоксирадикалов. Влияние природы заместителей на энергию пероксидной связи
Дибривный В.Н./Ван-Чин-Сян Ю.Я./Раевский Ю.А.
Ж. физ. химии, Vol: 84, No: 6 , published: 08 July 2010
Параметры термоактивированных молекулярных движений в кристаллах по данным ЯКР-спектроскопии хлора-35
Сойфер Г.Б.
Ж. физ. химии, Vol: 84, No: 6 , published: 08 July 2010
Red-edge-wavelength finely-tunable laser action from new BODIPY dyes
Ortiz M.J./Garcia-Moreno I./Agarrabeitia A.R./et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 28 , published: 02 July 2010
Hybrid complexes: Pt(II)-terpyridine linked to various acetylide-bodipy subunits
Nastasi Francesco/Puntoriero Fausto/Campagna Sebastiano/Olivier Jean-Hubert/Ziessel Raymond
Phys. Chem. Chem. Phys., Vol: 12, No: 27 , published: 02 July 2010
Aromatic π-π interaction mediated by a metal atom: structure and ionization of the bis(η6 benzene)chromium-benzene cluster
Han Songhee/Sing N. Jiten/Kang Tae Yeon/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 27 , published: 02 July 2010
Электронная структура и спектр катиона эндофуллерена Ce@C60+
Красилов А.В./Зон Б.А.http://elibrary.ru/item.asp?id=15524002
Оптика и спектроскопия, Vol: 109, No: 6 , published: 29 June 2010
Определение таутомерного состава аденина в газовой фазе методами колебательной спектроскопии. II. Анализ спектров резонансного комбинационного рассеяния
Бурова Т.Г./Тен Г.Н./Ермоленко В.В./и др.
Оптика и спектроскопия, Vol: 109, No: 6 , published: 29 June 2010
Спектральные свойства молекулярного зонда с переносом протона QMOM
Томин В.И./Яворский Р./Ющенко Д.А.
Оптика и спектроскопия, Vol: 109, No: 3 , published: 27 June 2010
Trap states and carrier dynamics of TiO3 studied by photoluminescence spectroscopy under weak excitation condition
Wang Xiuli/Feng Zhaochi/Shi Jianying/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 26 , published: 25 June 2010
The photophysics of europium and terbium polyoxometalates and their interaction with serum albumin: a time-resolved luminescence study
Hungerford Graham/Hussain Firasat/Patzke Greta R./Green Mark
Phys. Chem. Chem. Phys., Vol: 12, No: 26 , published: 25 June 2010
Structure of a short-lived excited state trinuclear Ag—Pt—Pt complex in aqueous solution by time resolved X-ray scattering
Morten Christensen, Kristoffer Haldrup, Kasper S. Kjær, Marco Cammarata, Michael Wulff, Klaus Bechgaard, Høgni Weihe, Niels H. Harrit and Martin M. Nielsen
Phys. Chem. Chem. Phys., Vol: 12, No: 26 , published: 25 June 2010
Inclusion complexes of buckycatcher with C60 and C70
Christian Mück-Lichtenfeld, Stefan Grimme, Lesya Kobryn and Andrzej Sygula


Phys. Chem. Chem. Phys., Vol: 12, No: 26 , published: 25 June 2010
Analysis of complexity measures and information planes of selected molecules in position and momentum spaces
Esquivel Rodolfo O./Anuglo Juan Carlos/Antolin Juan/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 26 , published: 25 June 2010
Revisting the nitrosyl complex of myoglobin by high-field pulse EPR spectroscopy and quantum mechanical calculations
Radoul Marina/Sundararajan Mahesh/Potapov Alexey/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 26 , published: 25 June 2010
Электронные спектры молекул XeNe в области 77100-90100 см -1вблизи Xe(6p, 5d, 6p', 7s, 7p, 6d), полученных методами(3+1)  REMPI и(2+1 )REMPI
Ходорковский М.А./Мурашов С.В./Артамонова Т.О./и др.
Оптика и спектроскопия, Vol: 108, No: 6 , published: 22 June 2010
The electronic states of pyrimidine studied by VUV photoabsorption and electron energy-loss spectroscopy
Ferreira da Silva F./Almeida D./Martins G./et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 25 , published: 18 June 2010
Branching relaxation pathways from the hot S2 state of 8'-apo-β-caroten-8'-al
Pang Yoonsoo/Fleming Graham R.
Phys. Chem. Chem. Phys., Vol: 12, No: 25 , published: 18 June 2010
Complexation of apigenin and luteolin in weld lake: a DFT/TDDFT investigation
Amat Anna/Clementi Catia/Miliani Costanza/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 25 , published: 18 June 2010
Оптическое заселение ионно-парных состояний I2 через валентные состояния, сходящихся к третьему, I(2 P1/2)+I(2P1/2), пределу диссоциации и их ван-дер-ваальсовы комплексы MI,  M=I2, Xe. I. λ 1=5321-5508 ~Å
Лукашов С.С./Порецкий С.А./Правилов А.М./и др.
Оптика и спектроскопия, Vol: 109, No: 4 , published: 15 June 2010
Оптическое заселение ионно-парных состояний I2 через валентные состояния, сходящихся к третьему, I(2P1/2)+I(2P1/2), пределу диссоциации и их ван-дер-ваальсовы комплексы MI2, M=I2, Xe. II. λ1=5508-5530 ~Å
Лукашов С.С./Порецкий С.А./Правилов А.М./и др.
Оптика и спектроскопия, Vol: 109, No: 4 , published: 15 June 2010
Модель и расчет констант скорости безызлучательной T-S-конверсии. Апробация на примере нафталина и его хлорпроизводных
Гастилович Е.А./Волкова Л.В./Клименко В.Г.
Оптика и спектроскопия, Vol: 109, No: 4 , published: 15 June 2010
Теоретическое исследование оптических свойств кластеров золота
Матулис В.Э./Палагин Д.М./Ивашкевич О.А.
Ж. общ. химии, Vol: 80, No: 6 , published: 09 June 2010
NO2 quantum yields from ultraviolet photodissociation of methyl and isopropyl nitrate
Cabajo Paula Gorrotxategi/Orr-Ewing Andrew J.
Phys. Chem. Chem. Phys., Vol: 12, No: 23 , published: 04 June 2010
Ab initio static and molecular dynamics study of the absorption spectra of the 4-styrylpyridine photoswitch in its cis and trans forms
Daku Latevi Max Lawson/Linares Jorge/Boillot Marie-Laure
Phys. Chem. Chem. Phys., Vol: 12, No: 23 , published: 04 June 2010
Formulations of the closed-shell interactions in endohedral systems
Cong Wang, Michal Straka and Pekka Pyykkö
Phys. Chem. Chem. Phys., Vol: 12, No: 23 , published: 04 June 2010
Binary complexes of tertiary amines with with phenylacetylene. Dispersion wins over electrostatics
Maity Surajit/Patwari G. Naresh/Karthikeyan S./Kim Kwang S.
Phys. Chem. Chem. Phys., Vol: 12, No: 23 , published: 04 June 2010
Reversible photoswitching between nitrito-N and nitrito-O isomers in trans-[Ru(py)4(NO2)2]
Schaniel Dominik/Mockus Nicholas/Woike Theo/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 23 , published: 04 June 2010
N-Methyl stereochemistry in tropinone: the conformational flexibility of the tropane motif
Cocinero Emilio J./Lesarri Alberto/Ecija Patricia/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 23 , published: 04 June 2010
Photophysical studies of xanthene dye in alkanols and in presence of inorganic ions
Ganguly B./Nath R.K./Hussain S.A./Panda A.K.
Indian J. Phys., Vol: 84, No: 6 , published: 01 June 2010
Формальный синтез стробилуринов А и Х
Григорьева Н.Я., Поповский В.А., Степанов А.В., Лубуж Е.Д.
Изв. РАН. Сер. хим., Vol: 2010, No: 11 , published: 30 May 2010
Синтез и спектральные свойства новых фотохромных дитиенилперфторциклопентенов с роданиновыми фрагментами
Краюшкин М.М., Личицкий Б.В., Дудинов А.А. и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 11 , published: 30 May 2010
Синтез и нитрование N,N'-бис(3-R-фуроксан-4-ил)метилендиаминов
Финогенов А.О., Епишина М.А., Куликов А.С. и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 11 , published: 30 May 2010
Донорно-акцепторные комплексы дипирролилметенов с трифторидом бора _- промежуточные продукты в реакции синтеза Bodipy
Румянцев Е.В., Марфин Ю.С., Антина Е.В.
Изв. РАН. Сер. хим., Vol: 2010, No: 10 , published: 28 May 2010
Exploring the limits of electron-nuclear polarization transfer efficiency in three-spin systems
Pomplun Nikolas/Glaser Steffen J.
Phys. Chem. Chem. Phys., Vol: 12, No: 22 , published: 28 May 2010
Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nuclei
Paniagua Juan Carlos/Mugnaini Veronica/Gabelieri Cristina/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 22 , published: 28 May 2010
Диаминометилиденовые производные β-кетосульфонов - потенциальные реагенты гетероциклического синтеза и хелатирующие лиганды
Воронкова В.А., Баранин С.В., Презент М.А. и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 10 , published: 28 May 2010
Ацетали амидов в синтезе пиридотиенопиримидинов
Медведева М.И., Тугушева Н.З., Алексеева Л.М. и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 10 , published: 28 May 2010
Физко-химическое исследование новых полидентатных лигандных систем на основе 2,6-диформил-4-трет-бутилфенола
Туполова Ю.П., Щербаков И.Н., Попов Л.Д., и др.
Ж. общ. химии, Vol: 80, No: 11 , published: 25 May 2010
Синтез и спектральные свойства нового 3,3'-бис(дипирролилметена) с ацетиленовым спейсером
Антина Е.В., Гусева Г.Б., Семейкин А.С., Вьюгин А.И.
Ж. общ. химии, Vol: 80, No: 11 , published: 25 May 2010
Синтез и спектральные свойства комплексов Co2+ и Co3+ с октаарилтетраазапорфиринами
Чижова Н.В., Хелевина О.Г., Кумеев Р.С., и др.
Ж. общ. химии, Vol: 80, No: 11 , published: 25 May 2010
Новый подход к синтезу 4-фосфорилированных 1,2,3-тиразмещенных пирролов
Соломянный Р.Н., Сливчук С.Р., Броварец В.С.
Ж. общ. химии, Vol: 80, No: 11 , published: 25 May 2010
L-edge XANES analysis of photoexcited metal complexes in solution
van der Veen Renske M., Kas Joshua J., Milne Christopher J. et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 21 , published: 21 May 2010
Synthesis, Structures, and Reactivity of Kinetically Stabilized Anthryldiphosphene Derivatives
Akihiro Tsurusaki, Noriyoshi Nagahora, Takahiro Sasamori et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 5 , published: 15 May 2010
The excited electronic states of adenine-quanine staked dimers in aqueous solution: a PCM/TD-DFT study
Santoro Fabrizio/Barone Vincenzo/Lami Alessandro/Improta Roberto
Phys. Chem. Chem. Phys., Vol: 12, No: 19 , published: 07 May 2010
Comparison of the non-radiative decay mechanisms of 4-pyrimidinone and uracil: an ab initio study
Delchev Vassil B./Sobolewski Andrzej L./Domcke Wolfgang
Phys. Chem. Chem. Phys., Vol: 12, No: 19 , published: 07 May 2010
Photophysical pathways of cytosine in aqueous solution
Kistler Kurt A./Matsika Spiridoula
Phys. Chem. Chem. Phys., Vol: 12, No: 19 , published: 07 May 2010
Ab initio investigation of the methylation and hydration effects on the electronic spectra of uracil and thymine
Etinski Mihajlo/Marian Christel M.
Phys. Chem. Chem. Phys., Vol: 12, No: 19 , published: 07 May 2010
Triplet formation of 6-azauridine and singlet oxygen densitization with UV light irradiation
Kobayashi Takashi/Kuramochi Hikaru/Suzuki Tadashi/Ichimura Teijiro
Phys. Chem. Chem. Phys., Vol: 12, No: 19 , published: 07 May 2010
Density functional study of structural and electronic properties of binetallic copper—gold clusters: comparison with pure and doped gold clusters
Wang Huai-Qian/Kuang Xiao-Yu/Li Hui-Fang
Phys. Chem. Chem. Phys., Vol: 12, No: 19 , published: 07 May 2010
DFT-расчеты в рамках симметризованного формализма Кона - Шема электронной структуры высокоэнергетических состояний диоксида азота
Захаров И.И.
Теор. и эксперим. химия, Vol: 46, No: 5 , published: 01 May 2010
Строение, спектральные и термические характеристики галогенидных комплексов цинка(II) с N,N-диметил-N',N'-диметилтиокарбамоилсульфенамидом
Хитрич Г.Н., Сейфуллина И.И.
Теор. и эксперим. химия, Vol: 46, No: 5 , published: 01 May 2010
Квантово-химические DFT-расчеты энергий O-H-связи фенолов
Хлестов Н.М., Шендрик А.Н.
Теор. и эксперим. химия, Vol: 46, No: 5 , published: 01 May 2010
Quantum mechanical study of secondary structure formation in protected dipeptides
Saric A./Hrenar T./Malis M./Doslic N.
Phys. Chem. Chem. Phys., Vol: 12, No: 18 , published: 30 April 2010
Full quadrupolar tensor determination by NMR using a micro-crystal spinning at the magic angle
Vasa Suresh Kumar/van Eck Ernst R.H./Janssen J.W.G./Kentgens Arno P.M.
Phys. Chem. Chem. Phys., Vol: 12, No: 18 , published: 30 April 2010
On the enzymatic acitivity of catalase: an iron L-edge X-ray absorption study of the active centre
Bergmann Nora/Bonhommeau Sebastien/Lange Kathrin M./et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 18 , published: 30 April 2010
Jet-cooled spectroscopy of paracetamol
Beames Joseph M./Hudson Andrew J.
Phys. Chem. Chem. Phys., Vol: 12, No: 16 , published: 16 April 2010
Structural, electronic, magnetic and optical properties of icosahedral silver—nickel nanoclusters
Harb Moussab/Rabilloud Franck/Simon Daniel
Phys. Chem. Chem. Phys., Vol: 12, No: 16 , published: 16 April 2010
Photoabsorption spectra of a natural polyphenol compound for therapeutic applications: the protocatechuic acid in filute water solution at room temperature
Zazza Costantino/Sanna Nico
Phys. Chem. Chem. Phys., Vol: 12, No: 15 , published: 09 April 2010
Interplay of stereo-electronic, enivronmental, and dynamical effects in determining the EPR parameters of aromatic spin-probes: INDCO as a test case
Cimino Paola/Pedone Alfonso/Stenardo Emiliano/Barone Vincenzo
Phys. Chem. Chem. Phys., Vol: 12, No: 15 , published: 09 April 2010
Direct ab initio MD study on the interacton of hydroperoxy radical (HOO) with water molecules
Tachikawa Hiroto/Abw Shigeaki
Phys. Chem. Chem. Phys., Vol: 12, No: 15 , published: 09 April 2010
Спектрофотометрическое определение флавоноидов по реакции азосочетания с тетрафтороборатом 4-нитрофенилдиазония
Кудринская В.А./Дмитриенко С.Г./Золотов Ю.А.
Вестн. МГУ. Сер. 2, Vol: 51, No: 4 , published: 03 April 2010
Оптические и цветометрические характеристики комплекса меди(II) с 1-нитрозо-2-нафтол-3,6-дисульфокислотой
Иванов В.М./Самарина Т.О./Фигуровская В.Н.
Вестн. МГУ. Сер. 2, Vol: 51, No: 4 , published: 03 April 2010
Оптические и электрохимические свойства циклометаллированных комплексов Rh(III) на основе 4,6-дифенилпиримидана с этилендиамином, 2,2'-бипиридилом и 1,10-фенантролином
Иванова Е.В./Балашев К.П.
Оптика и спектроскопия, Vol: 108, No: 4 , published: 01 April 2010
Роль структурных элементов молекул хлорпроизводных нафталина в спин-орбитальном взаимодействии. Фосфоресценция
Гастилович Е.А./Клименко В.Г./Королькова Н.В./Нурмухаметов Р.Н.
Оптика и спектроскопия, Vol: 108, No: 3 , published: 31 March 2010
Carbon K-shell photoionization of fixed-in-space C2H4
T. Osipov, M. Stener, A. Belkacem, M. Schöffler, Th. Weber, L. Schmidt, A. Landers, M. H. Prior, R. Dörner, and C. L. Cocke
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 3 , published: 31 March 2010
Formation of fragment momentum correlations in three-body predissociation of triatomic hydrogen: The interplay of geometry-dependent nonadiabatic coupling and ground-state dynamics
U. Galster
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 3 , published: 29 March 2010
Anomalous hyperfine structure of NSF3 in the degenerate vibrational state v5=1: Lifting of the parity degeneracy by the fluorine spin-rotation interaction
Hauke Harder, Sven Macholl, Heinrich Mäder, Luciano Fusina, and Irving Ozier
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 3 , published: 29 March 2010
Electroni structure of N,N'-ethylene-bis-(1,1,1-trifluoropentane-2,4-dioneiminato)-copper(II) (CuTFAC), from soft X-ray spectroscopies and density functional theory calculations
DeMasi A./Cho S.W./Piper L.F./et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 13 , published: 26 March 2010
Coherent ultrafast torsional motion and isomerization of a biomimetic dipolar photoswitch
Julien Briand, Olivier Bräm, Julien Réhault, Jérémie Léonard, Andrea Cannizzo, Majed Chergui, Vinizio Zanirato, Massimo Olivucci, Jan Helbing and Stefan Haacke
Phys. Chem. Chem. Phys., Vol: 12, No: 13 , published: 26 March 2010
A europium complex with enhanced long-wavelentgh sensitized luminescent properties
Xue Fumin/Ma Yan/Fu Limin/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 13 , published: 26 March 2010
PFI-ZEKE photoelectron spectrum of CH2F2, ionisation potential and ionic fragmentation apperanace potentials
Forysinski Piotr W./Zielke Philipp/Lickhaus David/Signorell Ruth
Phys. Chem. Chem. Phys., Vol: 12, No: 13 , published: 26 March 2010
Электронные спектры и молекулярные постоянные мононитрида циркония
Москвитина Е.Н./Кузяков Ю.Я.
Вестн. МГУ. Сер. 2, Vol: 51, No: 5 , published: 14 March 2010
Fast photo-processes in triazole-based push—pull systems
Zoon Peter D./van Stolkkum Ivo H.M./Parent Manuel/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 11 , published: 12 March 2010
Calculation of absorption and emission spectra of [n]cycloparaphenylenes: the reason for the large Stokes shift
Sundholm Dage/Taubert Stefan/Pichierri Fabio
Phys. Chem. Chem. Phys., Vol: 12, No: 11 , published: 12 March 2010
Theoretical study of electronic structures of [(H2O)3(O-)Mn(μ-oxo)2Mn(OH2)4]q+ (q=2 or 3) with Mn—O bond
Katsuda Masashi/Hishikawa Erika/Mitani Masaki/Yoshioka Yasunori
Phys. Chem. Chem. Phys., Vol: 12, No: 11 , published: 12 March 2010
Finite nuclear mass corrections to electric and magnetic interactions in diatomic molecules
Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 3 , published: 08 March 2010
Electronic spin-flipping collisions of hydrogen atoms
B. Zygelman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 3 , published: 08 March 2010
Electron penetration into the nucleus and its effect on the quadrupole interaction
Katrin Koch, Klaus Koepernik, Dimitri Van Neck, Helge Rosner, and Stefaan Cottenier
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 3 , published: 08 March 2010
Duschinsky mixing between four non-totally symmetric normal coordinates in the S1—S0 vibronic structure of (E)-phenylvinylacetylene: a quantitavie analysis
Christian W. Müller, Josh J. Newby, Ching-Ping Liu, Chirantha P. Rodrigo and Timothy S. Zwier


Phys. Chem. Chem. Phys., Vol: 12, No: 10 , published: 05 March 2010
Gas-phase fluorescence excitation and emission spectroscopy of mass-selected trapped molecular ions
Bian Qunzhou/Forbes Matthew W./Talbot Francis O./Jockusch Rebecca A.
Phys. Chem. Chem. Phys., Vol: 12, No: 11 , published: 27 February 2010
Квантовохимическое и корреляционное исследование депротонирования и комплексообразования 1-амино-4-гидроксиантрахинона
Файн В.Я./Зайцев Б.Е./Рябов М.А./Страшнов П.В.
Ж. общ. химии, Vol: 80, No: 10 , published: 25 February 2010
Комплексы железа(III) на основе азометина, производного 4,4'-додецилоксибензоилоксибензол-4-окси-2-гидрокси-бензальдегида
Червонова У.В./Груздев М.С./Колкер А.М./и др.
Ж. общ. химии, Vol: 80, No: 10 , published: 25 February 2010
Синтез и спектральные свойства смешаннолигандных комплексов платины(II) с (-)-S-нобином и сульфоксидами
Скворцов А.Н./Спевак В.Н./Студенцов Е.П./и др.
Ж. общ. химии, Vol: 80, No: 10 , published: 25 February 2010
Спектроскопические и электрохимические свойства моно-, би- и тетраядерных циклопалладированных комплексов на основе 2-(2-тиенил)пиридина и 2-фенилпиридина с пиридином и 4,4'-бипиридлом
Панова А.Г./Балашев К.П.
Ж. общ. химии, Vol: 80, No: 9 , published: 25 February 2010
Синтез, фотохромизм и комплексообразующая способность новых производных N-аминофульгимида
Попов Л.Д./Щербаков И.Н./Коган В.А./и др.
Ж. общ. химии, Vol: 80, No: 9 , published: 25 February 2010
Состояние комплексов тетрапиразино-порфиразинов с редкоземельными элементами в протонодонорных средах
Кокарева Е.А./Никитина Н.Г./Кулинич В.П./Хелевина О.Г.
Ж. общ. химии, Vol: 80, No: 9 , published: 25 February 2010
Квантовохимическое DFT исследование кислотных свойств тиолов RSH и лигандных способностей их анионов RS{_-}
Панина Н.С./Давидович П.Б./Беляев А.Н.
Ж. общ. химии, Vol: 80, No: 9 , published: 25 February 2010
Квантовохимическое исследование молекулярных форм ванилина
Семенов С.Г./Макарова М.В.
Ж. общ. химии, Vol: 80, No: 9 , published: 25 February 2010
Карбеновые комплексы молибдена и вольфрама Et[3]E_-CH=M(NAr)(OR)[2] (M=Mo, W; E=Si, Ge) и _p-комплекс молибдена (RO)[2](ArN)Mo(CH[2]=CH_-GeEt[3]). Синтез, каталитические свойства
Баринова Ю.П./Бочкарев А.Л./Беганцова Ю.Е./и др.
Ж. общ. химии, Vol: 80, No: 10 , published: 25 February 2010
Конформационный анализ, спектральные и каталитические свойства 1,3-тиазолидинов _- лигандов при гидросилировании ацетофенона дифенилсиланом
Скворцов А.Н./Уваров В.М./де Векки Д.А./и др.
Ж. общ. химии, Vol: 80, No: 10 , published: 25 February 2010
Ситез новых 7-алкилметиленпроизводных 2-(тио)оксо-2,5,6,7-тетрагидро-1H-пириндин-3-карбонитрилов
Дяченко В.Д./Карпов Е.Н./Дьяконенко В.В./Шишкин О.В.
Ж. общ. химии, Vol: 80, No: 10 , published: 25 February 2010
Синтез 7-ацетил-2,3,5,6,7,8-гексагидро-6-гидрокси-1,6-диметил-3-тиоксо-8-фенил(гетерил)изохинолин-4-карбонитрилов на основе 2,4-диацетил-5-гидрокси-5-метил-3-фенил(гетерил)циклогексанонов
Дяченко В.Д./Сукач С.М./Дяченко А.Д./и др.
Ж. общ. химии, Vol: 80, No: 10 , published: 25 February 2010
Наноразмерные смешанные агрегаты алкилированных n-сульфонатокаликс_(n_)аренов и цетил-триметиламмонийбромида: самоорганизация и каталитическая активность
Рыжкина И.С./Киселева Ю.В./Муртазина Л.И./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 7 , published: 21 February 2010
Взаимодействие полифторхалконов с гидразин-гидратом и фенилгидразином
Шмуйлович К.С./Орлова Н.А./Карпова Е.В./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 7 , published: 21 February 2010
Реакции нуклеофильного замещения и циклизации с участием кватернизованных 3-диметил-аминометильных производных 3,4-бис(индол-1-ил)малеинимида и 3-(индол-1-ил)-4-(индолин-1-ил)малеинимида
Симонов А.Ю./Лакатош С.А./Лузиков Ю.Н./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 7 , published: 21 February 2010
A novel free radical probe based on a preluminscent iridium complex bearing a nitronyl radical moiety
Yoshikawa H./Kobayashi M./Takahashi T./Awaga K.
Bull. Chem. Soc. Jpn., Vol: 83, No: 7 , published: 21 February 2010
Steric crowding effect of 1,3-diketonates on the structures and the solution behaviors of nickel(II) mixed-ligand complexes
Arakawa-Itoh M./Shibata M./Linert W./Fukuda Y.
Bull. Chem. Soc. Jpn., Vol: 83, No: 7 , published: 21 February 2010
Tetra(p-t-butyl)thiacalix_(4_)arenetetrol forms 4:1 complex with tetrakis(1-methyl-4-pyridinio)porphyrin
Hirakawa K./Segawa H.
Bull. Chem. Soc. Jpn., Vol: 83, No: 7 , published: 21 February 2010
Взаимодействие перхлоратов α-перфторфенил-пирилия с гидразингидратом
Каргаполова И.Ю./Шмуйлович К.С./Береговая И.В./Орлова Н.А.
Изв. РАН. Сер. хим., Vol: 2010, No: 7 , published: 21 February 2010
4,5-Дигидроксиимидазолидин-2-оны в реакции α-уреидоалкилирования N-(карбоксиалкил)-, N-(гидроксиалкил)- и N-(аминоалкил)мочевин Сообщение 6.* Тандемные реакции α-уреидоалкилирования и этерификации при взаимодействии N-(карбоксиалкил)мочевин с 4,5-дигидрокси-1,3-диметил-4,5-дифенилимидазолидин-2-оном в спиртах
Баранов В.В./Нелюбина Ю.В./Кравченко А.Н./Махова Н.Н.
Изв. РАН. Сер. хим., Vol: 2010, No: 7 , published: 21 February 2010
Поверхнi потенцiальноi енергii основного та збуджених станiв молекули {11}BH у мультиреференснiй теорii зв'язаних кластерiв
Клiменко Т.О./Iванов В.В./Лях Д.I.
Укр. фiз. ж., Vol: 55, No: 6 , published: 17 February 2010
Фемтосекундная динамика внутримолекулярного фотопереноса протона в N-замещенных 2-(2-аминофенил)-4H-3,1-бензоксазин-4-онах
Химич М.Н./Гостев Ф.Е./Геоаев И.В./и др.
Химия высок. энергий, Vol: 44, No: 6 , published: 17 February 2010
Синтез, строение и комплексообразующая способность новой лигандной системы _- 1-бензил-2-бензимидазолилгидразона пиррол-2'-карбальдегида
Попов Л.Д./Туполова Ю.П./Аскалепова О.И./и др.
Ж. общ. химии, Vol: 80, No: 8 , published: 17 February 2010
Высокоспиновый комплекс _(FeL[2](NCS)[2]_)~xH[2]O (L=3,5-ди(пиримидин-2-ил)-4H-1,2,4-триазол-4-амин). Синтез и свойства
Бушуев М.Б./Кривопалов В.П./Далецкий В.А./и др.
Ж. общ. химии, Vol: 80, No: 8 , published: 17 February 2010
Экспериментальное и теоретическое исследование влияния природы заместителей на люминесцентные свойства замещенных 8-оксихинолиновых комплексов скандия
Шестаков А.Ф./Каткова М.А./Емельянова Н.С./и др.
Химия высок. энергий, Vol: 44, No: 6 , published: 17 February 2010
Стереоэлектронное строение _g-хлорпропилтрихлорастаннана по результатам расчетов ab initio
Фешин В.П./Фешина Е.В.
Ж. общ. химии, Vol: 80, No: 8 , published: 17 February 2010
Синтез и превращения 3-арил-5-дихлорметил-1H-1,2,4-триазолов
Соколюк П.А./Демидчук Б.А./Броварец В.С.
Ж. общ. химии, Vol: 80, No: 8 , published: 17 February 2010
Возбужденные состояния с водородной связью в реакции ароматических диангидридов и диаминов
Калниньш К.К./Панарин Е.Ф.
Докл. РАН, Vol: 434, No: 3 , published: 15 February 2010
Спектры ЭПР анион-радикала триметил-1,4-бензохинона. Расчеты методом функционала плотности и их сравнение с экспериментом
Фролов А.Е./Свиряева И.В./Рууге Э.К./и др.
Ж. физ. химии, Vol: 84, No: 9 , published: 15 February 2010
Флуоресцентное исследование кето-енольного равновесия таутомеров 5-фторурацила в водных растворах
Султанбаев М.В./Остахов С.С./Ганцев Ш.Х./и др.
Химия высок. энергий, Vol: 44, No: 5 , published: 11 February 2010
Люминесценция свободных оснований комплексонатзамещенных производных тетрафенилпорфирина и их комплексов с лютецием
Ермолина Е.Г./Кузнецова Р.Т./Гадиров Р.М./и др.
Химия высок. энергий, Vol: 44, No: 5 , published: 11 February 2010
Синтез и оптические свойства BF[2]-комплекксов (BODIPY) алкилированных дипирролилметенов
Антина Е.В./Березин М.Б./Семейкин А.С./и др.
Ж. общ. химии, Vol: 80, No: 6 , published: 10 February 2010
Синтез и спектральные свойства геликатов цинка(II) с рядом 3,3'-бис(дипирролилметенов)
Антина Е.В./Березин М.Б./Дудина Н.А./и др.
Ж. общ. химии, Vol: 80, No: 6 , published: 10 February 2010
Синтез и строение координационного соединения палладия (II) с β-амидом аспарагиновой кислоты
Чорненька Н.В./Пехньо В.И./Волков С.В.
Доп. Нац. АН Украïни, Vol: 2010, No: 5 , published: 10 February 2010
Внутримолекулярное специфическое взаимодействие C_-H~x~x~xO в 1-винил-5-паризолкарбоновой кислоте по данным спектроскопии ЯМР {1}H
Балтаян А.О./Саакян А.А./Аттарян О.С./Асратян Г.В.
Ж. общ. химии, Vol: 80, No: 6 , published: 10 February 2010
Новые перфторированные 2',2'-дипиримидинилалканы
Вебрицкий Д.Ю./Курыкин М.А./Кештов М.Л./Хохлов А.Р.
Докл. РАН, Vol: 433, No: 5 , published: 10 February 2010
Расчет возбужденных состояний молекул при помощи метода теории функционала плотности с орбитально-зависимым неадиабатическим обменным ядром
Ипатов А.Н.
Ж. эксперим. и теор. физ., Vol: 137, No: 2 , published: 08 February 2010
πσ* excited states in molecular photochemistry
Ashfold Michael N.R./King Graeme A./Murdock Daniel/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 6 , published: 05 February 2010
Molecular Feshbach dissociation as a source for motionally entangled atoms
Clemens Gneiting and Klaus Hornberger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 1 , published: 29 January 2010
Improving the efficiency of ultracold dipolar molecule formation by first loading onto an optical lattice
J. K. Freericks, M. M. Maśka, Anzi Hu, Thomas M. Hanna, C. J. Williams, P. S. Julienne, and R. Lemański
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 1 , published: 28 January 2010
Formation of inner-shell autoionizing CO+ states below the CO2+ threshold
T. Osipov, Th. Weber, T. N. Rescigno, S. Y. Lee, A. E. Orel, M. Schöffler, F. P. Sturm, S. Schössler, U. Lenz, T. Havermeier, M. Kühnel, T. Jahnke, J. B. Williams, D. Ray, A. Landers, R. Dörner, and A. Belkacem
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 1 , published: 27 January 2010
Linear and nonlinear optical properties of triphenylamine-functionalized C60: insights from theory and experiment
Zalesny Robert/Loboda Oleksandr/Iliopoulos K./et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 2 , published: 08 January 2010
Квантово-химическое исследование строения и оптических свойств сенсибилизирующих красителей индолин-тиазолидинового ряда
Барышников Г.В./Минаев Б.Ф./Минаева В.А.
Оптика и спектроскопия, Vol: 108, No: 1 , published: 07 January 2010
Enhancing the interactions between neutral molecular tweezers and anions
Hermida-Ramon Jose M.Mandado Marcos/Sanchez-Lozano Marta/Estevez Carlos M.
Phys. Chem. Chem. Phys., Vol: 12, No: 1 , published: 01 January 2010
Resolving ligand hyperfine couplings of type 1 and 2 Cu(II) in ascorbate oxidase by high field pulse EPR correlation spectroscopy
Potapov Alexey/Pecht Israel/Goldfarb Daniella
Phys. Chem. Chem. Phys., Vol: 12, No: 1 , published: 01 January 2010
Природа внутримолекулярной связи O_!Si в N-(трифторсилилметил)-сукцинимиде и N-(трифторсилилметил)фталимиде
Нечаев М.С./Аксаментова Т.Н./Воронков М.Г./и др.
Ж. общ. химии, Vol: 79, No: 6 , published: 30 December 2009
Комплексообразование ванадия(III) и оксованадия(IV) с пирофосфат-анионами
Попова Т.В./Щеглова Н.В./Петрова И.В.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 3 , published: 26 December 2009
Графен-нанотрубные структуры: строение и энергетика образования
Чернозатонский Л.А./Шека Е.Ф./Артюх А.А.
Письма в ЖЭТФ, Vol: 89, No: 7-8 , published: 26 December 2009
К вопросу о стабильности органических соединений меди(II) с _s-связью Cu(II)_-C. Квантово-химическое исследование
Голубева Е.Н./Жидомиров Г.М./Кокорин А.И.
Докл. РАН, Vol: 426, No: 6 , published: 26 December 2009
Оптические свойства молекул и хромогенных агрегатов ксантеновых красителей
Михеев Ю.А./Гусева Л.Н./Ершов Ю.А.
Ж. физ. химии, Vol: 83, No: 5 , published: 25 December 2009
Анализ колебательной структуры УФ-спектра поглощения паров метакрилоилхлорида
Королева Л.А./Тюлин В.И./Матвеев В.К./Пентин Ю.А.
Ж. физ. химии, Vol: 83, No: 6 , published: 25 December 2009
Фотохимические превращения халконо-подандов в циклобутансодержащие бензо-краун-эфиры
Овчинникова И.Г./Федорова О.В./Маточкина Е.Г./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 6 , published: 24 December 2009
Синтез и спектрально-люминесцентные свойства 4-(ацетил)амино)-N-арилнафталимидов, содержащих электронодонорные группы в N-арильном заместителе
Панченко П.А./Федоров Ю.В./Федорова О.А./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 6 , published: 24 December 2009
Люминесцентные характеристики комплексов тетрафенилпорфирина и его производных с лютецием
Кузнецова Р.Т./Ермолина Е.Г./Гадиров Р.М./и др.
Оптика и спектроскопия, Vol: 106, No: 5 , published: 24 December 2009
Синтез и исследование физико-химических свойств комплексов фталоцианинов с d- и f-элементами
Зиминов А.В., Рамш С.М., Спиридонов И.Г., et al.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2009, No: 4 , published: 24 December 2009
Расчеты констант диссоциации карбоновых кислот эмпирическим и квантовохимическим DFT методами
Зевацкий Ю.Э./Самойлов Д.В./Панина Н.С.
Ж. общ. химии, Vol: 79, No: 5 , published: 24 December 2009
Циклизация (1,2,4,5-тетразин-3-ил)гидразонов в 3,7-дигидро-1,2,4-триазоло_(4,3-b_)-1,2,4,5-тетразины
Толщина С.Г./Вяхирева А.Г./Игнатенко Н.К./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 6 , published: 24 December 2009
Построение конденсированных систем на основе _sH-аддуктов 6-нитро-1,2,4-триазоло_(1,5-a_)пиримидина с _p-избыточными гетероароматическими соединениями
Горбунов Е.Б./Русинов Г.Л./Чупахин О.Н./Чарушин В.Н.
Изв. РАН. Сер. хим., Vol: 2009, No: 6 , published: 24 December 2009
Interference effects during the Auger decay of the C∗O 1s−1π∗ resonance studied by angular distribution of the CO+(A) photoelectrons and polarization analysis of the CO+(A-X) fluorescence
Ph. V. Demekhin, I. D. Petrov, V. L. Sukhorukov, W. Kielich, P. Reiss, R. Hentges, I. Haar, H. Schmoranzer, and A. Ehresmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 6 , published: 23 December 2009
The density functional theory study on the ionization potentials and electron affinities of cytosine-formamide complexes
Su Chun-fang/Li Yan-min/Zhou Zheng-yu/et al.
Ж. физ. химии, Vol: 83, No: 3 , published: 22 December 2009
Микроволновая спектроскопия слабосвязанных молекулярных комплексов: изотопологии He_-Co
Потапов А.В./Сурин Л.А./Панфилов В.А./Думеш Б.С.
Оптика и спектроскопия, Vol: 106, No: 2 , published: 20 December 2009
Исследование структуры и спектральных свойств анион-радикалов Zn-комплексов порфиринов методом теории функцинала плотности
Пархоц О.П./Ивашин Н.В.
Оптика и спектроскопия, Vol: 106, No: 2 , published: 20 December 2009
Исследование структуры и спектральных свойств дианионов Zn-комплексов порфиринов методом теории функционала плотности
Пархоц О.П./Ивашин Н.В.
Оптика и спектроскопия, Vol: 106, No: 2 , published: 20 December 2009
Математическое моделирование фотопереноса протона водородной связи при облучении молекулы двумя имиульсами света
Морозов В.А.
Оптика и спектроскопия, Vol: 106, No: 6 , published: 19 December 2009
Безызлучательная ST-конверсия в _a- и _b-хлорпроизводных нафталина
Гастилович Е.А./Клименко В.Г./Серов С.А./Нурмухаметов Р.Н.
Оптика и спектроскопия, Vol: 106, No: 6 , published: 19 December 2009
Uv-vis spectra of aryl-substituted tetraaminoethylenes
Blokhina S.V./Borovkov N.Yu.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 12 , published: 16 December 2009
Study of arabinogalactan complexation of the siberian larch (Larix Sibirica L.) With amikacinum and gentamicinum
Mudarisova R.Kh./Badykova L.A./Koptyaeva E.I./et al.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 12 , published: 16 December 2009
Электронная структура и флуоресценция молекул Mg(II)-комплекса 1,4-диазепинотрибензопорфиразина
Кнюкшто В.Н./Кузьмицкий В.А./Борисевич Е.А./и др.
Ж. прикл. спектроскопии, Vol: 76, No: 3 , published: 16 December 2009
Синтез, фотохромизм и комплексообразующая способность n-тозиламинобезилиденимино-спиронафтоксазина
Попов Л.Д./Щербаков И.Н./Коган В.А./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 5 , published: 16 December 2009
Study of cumplexation and extraction of mixed phenantrolyne-1-oxy-2 naphtoic complexes of cobalt, nickel and iron (II0
Gurbanov A.N./Salakhova F.I.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 12 , published: 16 December 2009
Таутомерия хиназолин-4-онов с 2,3-аннелированными гидрированными 1,3-диазагетероциклами. Синхронный и асинхронный двухпротонный перенос в циклических водородно-связанных ассоциатах
Морковник А.С./Диваева Л.Н.
Изв. РАН. Сер. хим., Vol: 2009, No: 5 , published: 16 December 2009
Химия винилиденовых комплексов. Новые гетерометаллические _m-винилиденовые комплексы со связями Re_-M (M=Pd, Pt). Молекулярная структура (_h{5}-C[5]H[5])(CO)RePt(_m-C=CHPh)(_m-CO)(Ph[2]PCH[2]PPh[2])
Антонова А.Б./Чудин О.С./Павленко Н.И./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 5 , published: 16 December 2009
Взаимодействие фторированных по бензольному кольцу хинолинов с азотцентрированными нуклеофилами
Сафина Л.Ю./Селиванова Г.А./Багрянская И.Ю./Штейнгарц В.Д.
Изв. РАН. Сер. хим., Vol: 2009, No: 5 , published: 16 December 2009
Hyperfine structure and Zeeman tuning of the A 2Π−X 2Σ+(0,0) band system of the odd isotopologue of strontium monofluoride 87SrF
Anh T. Le, Hailing Wang, and Timothy C. Steimle
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 6 , published: 15 December 2009
Идентификация электронно-возбужденных синглетных состояний изомеров гидроксибензойной кислоты
Цеплин Е.Е./Цеплина С.Н./Туймедов Г.М./Хвостенко О.Г.
Оптика и спектроскопия, Vol: 106, No: 3 , published: 11 December 2009
Влияние орбитальной структуры и симметрии электронных состояний на бызызлучательную S_-T-конверсию. Дебинзофуран
Гастилович Е.А./Королькова Н.В./Клименко В.Г./Нурмухаметов Р.Н.
Оптика и спектроскопия, Vol: 106, No: 3 , published: 11 December 2009
К вопросу о механизме перегруппировки Клайзена
Ключарева Е.В./Ершова Е.В./Нигматуллина Р.Г./и др.
Докл. РАН, Vol: 424, No: 6 , published: 09 December 2009
Spin and orbital rotation of electrons and photons via spin-orbit interaction
C. C. Leary, M. G. Raymer, and S. J. van Enk
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 6 , published: 08 December 2009
Влияние вибронно-индуцированной спин-орбитальной связи электронных _p_p{*}-состояний на безызлучательную интеркомбинационную конверсию. Нафталин
Клименко В.Г./Гастилович Е.А./Серов С.А./Нурмухаметов Р.Н.
Оптика и спектроскопия, Vol: 106, No: 4 , published: 07 December 2009
Electronic resonant states of HCO and HOC
Ã…. Larson and A. E. Orel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 6 , published: 04 December 2009
Спектры и структура нанокластеров шестивалентного урана со смешанной по ацидолигандам координационной сферой
Зажогин А.П./Зажогин А.А./Умрейко Д.С./Умрейко С.Д.
Ж. прикл. спектроскопии, Vol: 76, No: 1 , published: 04 December 2009
Термодинамические и молекулярные свойства циклических неароматических углеводородов и ненасыщенных гетероциклических соединений: квантовохимическая оценка
Панкратов А.Н.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 2 , published: 02 December 2009
Синтез и изучение спектральных свойств кросс-сопряженных _w,_w'-бисдиметиламинокетонов и динитрилов, содержащих циклоалкановый или пиперидиновый фрагменты
Красная Ж.А./Шведова Л.А./Татиколов А.С./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 2 , published: 27 November 2009
Синтез и окислительная циклизация 7-амино-3-R-4,6-динитробензо_(d_)изоксазолов
Бастраков М.А./Старосотников А.М./Глухов И.В./Шевелев С.А.
Изв. РАН. Сер. хим., Vol: 2009, No: 2 , published: 27 November 2009
Синтез и термическая устойчивость имино-1,3-дитиетанов. Влияние структурных факторов
Огурцов В.А./Карпычев Ю.В./Беляков П.А./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 2 , published: 27 November 2009
Моделирование термического распада молекулы метилкубана C[9]H[10]
Маслов М.М.
Хим. физ., Vol: 28, No: 4 , published: 27 November 2009
Термодианамические активационные параметры заторможенного вращения CF[3]-группы в анион-радикале 4-нитрофенилтрифторметилсульфона в ДМФА
Шундрин Л.А./Поленов Е.А.
Ж. структур. химии, Vol: 50, No: 2 , published: 26 November 2009
Исследование сверхтонких квадрупольных взаимодействий в соединениях UGe[2] и UAl[2] на пробных ядрах {111}Cd методом возмущенных угловых корреляций
Цвященко А.В./Фомичева Л.Н./Саламатин А.В./и др.
Письма в ЖЭТФ, Vol: 89, No: 5-6 , published: 25 November 2009
Separation of Auger transitions into different repulsive states after K -shell photoionization of N2 molecules
N. A. Cherepkov, S. K. Semenov, M. S. Schöffler, J. Titze, N. Petridis, T. Jahnke, K. Cole, L. Ph. H. Schmidt, A. Czasch, D. Akoury, O. Jagutzki, J. B. Williams, C. L. Cocke, T. Osipov, S. Lee, M. H. Prior, A. Belkacem, A. L. Landers, H. Schmidt-Böcking, Th. Weber, and R. Dörner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 5 , published: 24 November 2009
Глубокоокрашенные анионные полиметиновые красители на основе бис(2,2,3,3,4,4,5,5-октафторпентил)-9H-флуорен-2,7-дисульфоната
Курюкова И.В./Деревянко Н.А./Ищенко А.А./Мысык Д.Д.
Изв. РАН. Сер. хим., Vol: 2009, No: 4 , published: 20 November 2009
_p-Комплексы трикарбонилов переходных металлов с циклополиенами и их борными аналогами
Грибанова Т.Н./Миняев Р.М./Стариков А.Г./Минкин В.И.
Изв. РАН. Сер. хим., Vol: 2009, No: 4 , published: 20 November 2009
Энергии связей и энтальпии образования моно- и полирадикалов в нитроалканах. Сообщ. 1. Нитропроизводные метана
Мирошниченко Е.А./Конькова Т.С./Иноземцев Я.О./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 4 , published: 20 November 2009
Исследование электронного строения смешанных сэндвичевых анса-комплексов хрома методами газофазной абсорбционной спектроскопии и квантовой химии
Кетков С.Ю./Исаченков Н.А./Брауншвайг Х./Купфер Т.
Изв. РАН. Сер. хим., Vol: 2009, No: 4 , published: 20 November 2009
Water molecule coupling to MeCl{+} and MeClO[4]{+} ions studied by the electrospray ionisation mass spectrometry
Jakubowska Anna
Z. phys. Chem., Vol: 223, No: 3 , published: 19 November 2009
Inaccuracy of Density Functional Theory Calculations for Dihydrogen Binding Energetics onto Ca Cation Centers
Janghwan Cha, Seokho Lim, Cheol Ho Choi, Moon-Hyun Cha, and Noejung Park
Phys. Rev. Lett., Vol: 103, No: 21 , published: 19 November 2009
Spin Manipulation Using the Light-Shift Effect in Rubidium Atoms
T. Moriyasu, D. Nomoto, Y. Koyama, Y. Fukuda, and T. Kohmoto
Phys. Rev. Lett., Vol: 103, No: 21 , published: 17 November 2009
Nonequilibrium thermal entanglement in a three-qubit XX model
X. L. Huang (黄晓�), J. L. Guo (郭金良), and X. X. Yi (衣学喜)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 5 , published: 16 November 2009
Observation of geometric phases for three-level systems using NMR interferometry
Hongwei Chen, Mingguang Hu, Jingling Chen, and Jiangfeng Du
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 5 , published: 10 November 2009
Изучение комплексных соединений цинка(II), кадмия(II), свинца(II), меди(II) с ксиленоловым оранжевым
Ванчикова Е.В./Кондратенок Б.М./Уляшева М.Д.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 5 , published: 09 November 2009
Construction of supramolecular systems based on endohedral mettalofullerenes
Tsuchiya Takahiro/Akasaka Takeshi/Nagase Shigeru
Bull. Chem. Soc. Jpn., Vol: 82, No: 2 , published: 07 November 2009
Alkyl-substitution effect of the diamine on coordination geometry and ligand-field strength of nickel(II) mixed-ligand complexes containing N-alkylethylenediamine, acetylacetonate, and nitrate ligands
Shirase Hitoshi/Saito Mariko/Arakawa-Itoh Machiko/Fukuda Yutaka
Bull. Chem. Soc. Jpn., Vol: 82, No: 2 , published: 07 November 2009
Fluorescence characteritics of naphthalene dendrimers at low concentration in aqueous solution
Akatsuka Ryosuke/Shinohara Yoshihiro/Sato Tomoo/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 2 , published: 07 November 2009
Fluorescence characteristics of naphthalene dendrimers at low concentration in aqueous solution
Akatsuka Ryosuke/Shinohara Yoshihiro/Sato Tomoo/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 2 , published: 07 November 2009
Density functional study on core ionization spectra of cytidine and its fragments
Thompson Alexander/Saha Saumitra/Wang Feng/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 2 , published: 07 November 2009
Синтез, строение и свойства комплексов тербия с водорастворимыми фосфорсодержащими каликс[4]аренами
Кость С.С./Мирошниченко С.И./Терновая Д.С./и др.
Доп. Нац. АН Украïни, Vol: 2009, No: 10 , published: 23 October 2009
Статистический анализ волновых чисел триплетных ровибронных переходов молекул D[2]. I. Оценка погрешностей измерений
Лавров Б.П./Умрихин И.С.
Хим. физ., Vol: 28, No: 1 , published: 22 October 2009
Size extensivity of the variational reduced-density-matrix method
Maho Nakata and Koji Yasuda
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 20 October 2009
Nuclear spin conversion in NH3
P. Cacciani, J. Cosléou, M. Khelkhal, M. Tudorie, C. Puzzarini, and P. Pracna
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 4 , published: 14 October 2009
Strengthened Bell inequalities for entanglement verification
Pavel Lougovski and S. J. van Enk
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 30 September 2009
Синтез и фотолюминесцентные свойства бензодиоксановых _b-аминокетонов
Муралев А.Е./Мочалов С.С./Барбалат Ю.А./Кузьмина Н.П.
Вестн. МГУ. Сер. 2, Vol: 50, No: 4 , published: 24 September 2009
Axle charge effects on photoinduced electron transfer processes in rotaxanes containing porphyrin and [60]fullerene
Sasabe Hisahiro/Sandanayaka Atula S.D./Kihara Nobuhiro/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 46 , published: 21 September 2009
The Jahn–Teller and pseudo-Jahn–Teller effects in the low-lying electronic states of 1,3,5-trifluorobenzene radical cation
Mondal T./Mahapatra S.
Phys. Chem. Chem. Phys., Vol: 11, No: 46 , published: 21 September 2009
Entanglement and Tunable Spin-Spin Couplings between Trapped Ions Using Multiple Transverse Modes
K. Kim, M.-S. Chang, R. Islam, S. Korenblit, L.-M. Duan, and C. Monroe
Phys. Rev. Lett., Vol: 103, No: 12 , published: 16 September 2009
Theoretical Determination of Characteristic X-Ray Lines and the Copper Kα Spectrum
C. T. Chantler, A. C. L. Hayward, and I. P. Grant
Phys. Rev. Lett., Vol: 103, No: 12 , published: 16 September 2009
Chemistry of anthracene_-acetylene oligomers. XIII. Synthesis, structures, and spectroscopic properties of all possible 1,8-anthrylene cyclic tetramers with acetylene and diacetylene linkers
Toyota Shinji/Miyahara Hiroaki/Goichi Michio/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 8 , published: 15 September 2009
Resonant coupling effects on the photoassociation of ultracold Rb and Cs atoms
B. E. Londoño, J. E. Mahecha, E. Luc-Koenig, and A. Crubellier
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 14 September 2009
Dependence of chemical shift difference on core-level
Nagashima Umpei/Nagaoka Shin-ichi
Bull. Chem. Soc. Jpn., Vol: 82, No: 10 , published: 14 September 2009
Rydberg-State-Enabled Deceleration and Trapping of Cold Molecules
S. D. Hogan, Ch. Seiler, and F. Merkt
Phys. Rev. Lett., Vol: 103, No: 12 , published: 14 September 2009
Preparation and structures of new azobenzene derivatives with a 3-gualiazulenylvinyl group
Takekuma Shin-ichi/Fukuda Kenji/Minematsu Toshie/Takekuma Hideko
Bull. Chem. Soc. Jpn., Vol: 82, No: 11 , published: 10 September 2009
Synthesis and optical properties, including two-photon absorption cross-sections, of differentially functionalized starburst-type _p-conjugated molecules
Kobayashi Kenji/Kita Yuto/Shigeiwa Motoyuki/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 11 , published: 10 September 2009
Photoinduced hydrogen-evolution system with an antibody_-porphyrin complex as a photosensitizer
Yamaguchi Hiroyasu/Onji Takeshi/Ohara Hidetaka/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 11 , published: 10 September 2009
The single- and double-strand cleavage of DNA by a cationic dicobalt complex by visible light
Shimakoshi Hisashi/Kaieda Takeshi/Hisaeda Yoshio
Bull. Chem. Soc. Jpn., Vol: 82, No: 11 , published: 10 September 2009
Role of exchange in density-functional theory for weakly interacting systems: Quantum Monte Carlo analysis of electron density and interaction energy
Yosuke Kanai and Jeffrey C. Grossman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 09 September 2009
Синтез и свойства макрогетероциклических соединений АВАВ-типа с диэтилпиразиновыми фрагментами
Стряпан М.Г./Исляйкин
Изв. вузов. Химия и хим. технол., Vol: 52, No: 9 , published: 04 September 2009
Improved calculation on the isotope effect in dissociative electron attachment to acetylene
S. T. Chourou and A. E. Orel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 01 September 2009
When finite-size corrections vanish: The S=1/2 XXZ model and the Razumov-Stroganov state
Leonardo Banchi, Filippo Colomo, and Paola Verrucchi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 2 , published: 31 August 2009
Theoretical electronic investigation of the low-lying electronic states of the LuF molecule
Hamade Y./Haher F./Chouelb M./Monteil Y.
Can. J. Phys., Vol: 87, No: 11 , published: 31 August 2009
Влияние температуры и динамического тушения на свойства возбужденных состояний 3-гидркосифлавона
Томин В.И.
Хим. физ., Vol: 28, No: 11 , published: 31 August 2009
Ab initio расчет гидратации органических катионов и их ассоциатов с аминами на поверхности каолинита
Тарасевич Ю.И./Аксененко Е.В./Поляков В.Е.
Теор. и эксперим. химия, Vol: 45, No: 6 , published: 31 August 2009
Theoretical calculation of the electronic states with spin-orbit effects of the molecule LiCs
Elkork N./Houalla D./Korek M.
Can. J. Phys., Vol: 87, No: 10 , published: 31 August 2009
Para-hydrogen induced polarization in multi-spin systems studied at variable magnetic field
Korchak S.E./Ivanov K.L./Yurkovskaya A.V./Vieth H.-M.
Phys. Chem. Chem. Phys., Vol: 11, No: 47 , published: 26 August 2009
Five lowest 1S states of the Be atom calculated with a finite-nuclear-mass approach and with relativistic and QED corrections
Monika Stanke, Jacek Komasa, Sergiy Bubin, and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 2 , published: 25 August 2009
Mechanism for high-energy electrons in nonsequential double ionization below the recollision-excitation threshold
Yueming Zhou, Qing Liao, and Peixiang Lu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 2 , published: 19 August 2009
Синтез и спектральные свойства октацианопиразинопорфиразина и его металлокомплексов
Белозерова Ю.И./Ефимова С.В./Корженевский А.Б./Койфман О.И.
Ж. общ. химии, Vol: 79, No: 12 , published: 16 August 2009
Electronically excited states of protonated aromatic molecules: benzaldehyde
Alata I./Omidyan R./Dedonder-Lardeux C./Broquier M./Jouvet C.
Phys. Chem. Chem. Phys., Vol: 11, No: 48 , published: 10 August 2009
Fluorescent dyes with 2-amino-4,7-diazaindole skeleton. Synthesis and spectroscopy
Gryko Daniel T./Piechowska Joanna/Vetokhina Volha/Wojcik Dominik
Bull. Chem. Soc. Jpn., Vol: 82, No: 12 , published: 10 August 2009
Molecular reconition in the gas phase: benzocaine—phenol as a model of anaesthetic—receptor interaction
Aguado Edurne/Leon Iker/Cocinero Emilio J./et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 48 , published: 10 August 2009
Mononuclear bis(tridentate)-type and dinuclear triple ehlicate iron(II) complexes containing 2-ethyl-5-methylimidazole-4-carbaldehyde azine
Sunatsuki Yukinari/Maruyama Hisashi/Fujita Kunihiro/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 12 , published: 10 August 2009
On the stability of X2NO radicals (X = F, Cl, Br, I)
Puzzarini Cristina/Barone Vincenzo
Phys. Chem. Chem. Phys., Vol: 11, No: 48 , published: 10 August 2009
Magnetic resosnance spectroscopy of extra-terrestrial methyl radical
Weil J.A./Howarth D.F.
Can. J. Phys., Vol: 87, No: 6 , published: 10 August 2009
NMR tensors in planar hydrocarbons of increasing size
Ikalainen Suvi/Lantto Perttu/Manninen Pekka/Vaara Juha
Phys. Chem. Chem. Phys., Vol: 11, No: 48 , published: 10 August 2009
The UV/Vis absorption spectrum of matrix-isolated dichlorine peroxide, CIOOCI
von Hobe Marc/Stroh Fred/Beckers Helmut/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 10 , published: 05 August 2009
The photoelectron spectrum of CCl2: the convergence of theory and experiment after a decade of debate
Wren Scott W./Vogelhuber Kristen M./Ervin Kent M./Lineberger W. Carl
Phys. Chem. Chem. Phys., Vol: 11, No: 23 , published: 05 August 2009
MRCI investigation of Ni2O2 and Ni2O2+
Hubner Olaf/Himmel Hans-Jorg
Phys. Chem. Chem. Phys., Vol: 11, No: 13 , published: 05 August 2009
Mass analysed threshold ionisation spectroscopy of flexible 2-para-fluorophenylethanol conformers with and without an intramolecular OHπ bond
Karaminkov R./Chervenkov S./Nusser H.J.
Phys. Chem. Chem. Phys., Vol: 11, No: 13 , published: 05 August 2009
Photophysical and spectroscopic manifestations of the low-lying πσ* state of 4-(dimethylamino)benzethyne: solvent-polarity dependence of fluorescence and excited-state absorptions
Fujiwara Takashige/Lee Jae-Kwang/Zgierski Marek Z./Lim Edward C.
Phys. Chem. Chem. Phys., Vol: 11, No: 14 , published: 05 August 2009
Energy transfer process in electronically coupled porphyrin hetero-dyads connected at the β position
Ventura Barbara/Barigelletti Francesco/Lodato Fabio/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 13 , published: 05 August 2009
Selective observation of the two oxygen atoms at different sites in the carboxyl group (—OOH) of liquid acetic acid
Tokushima Takashi/Horikawa Yuka/Harda Yoshihisa/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 11 , published: 05 August 2009
Photophysics of phenaloneone: quantum-mechanical investigation of singlet-triplet intersystem crossing
Daza Martha C./Doerr Markus/Slazmann Susanne/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 11 , published: 05 August 2009
Spectroscopic signatures for planar equilibrium geometries in methyl-substituted oligothiophenes
Macchi Giorgio/Medina Begona Milian/Zambianchi Massimo/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 6 , published: 05 August 2009
Electronic spectroscopy of the Au-Xe complex
Plowright Richard J./Watkins Mark J./Gardner Adrian M./et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 10 , published: 05 August 2009
A companion perturbation theory for state-specific multireference coupled cluster methods
Evangelista Francesco A./Simmonett Andrew C./Schaefer Henry F., III/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 23 , published: 05 August 2009
Ab initio quantum chemical computations of substituent effects on triaziridine strain energy and heat of formation
Peverati Roberto/Siegel Jay S./Baldridge Kim K.
Phys. Chem. Chem. Phys., Vol: 11, No: 14 , published: 05 August 2009
REMPI and MATI spectroscopic investigation of dichlorobenzene-argon complexes: determination of the binding energies
Gaber Angela/Riese Mikko/Witte Frank/Grotomeyer Juergen
Phys. Chem. Chem. Phys., Vol: 11, No: 10 , published: 05 August 2009
Hydrogen bonding in 1,2-diazine–chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction
Seliger Janez/Zagar Veselko/Gotoh Kazuma/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 13 , published: 05 August 2009
Cyanide orientational ordering and copper electric field gradients in CuCN·N2H4
Aguiar Pedro M./Kroeker Scott
Phys. Chem. Chem. Phys., Vol: 11, No: 5 , published: 05 August 2009
Study of substituent effects for aliphatic CH3—X compounds by resonant Auger spectroscopy
Travnikova Oksana/Svensson Svante/Ceolin Denis/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 5 , published: 05 August 2009
Charge delocalization dynamics of ammonia in different hydrogen bonding environments: free clusters and in liquid water solution
Lindblad A./Bergersen H./Pokapanich W./et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 11 , published: 05 August 2009
Predissociation of the A2Σ+ (v′ = 3) state of the OH radical
Dragana Č. Radenović, André J. A. van Roij, Shiou-Min Wu, J. J. ter Meulen, David H. Parker, Mark P. J. van der Loo and Gerrit C. Groenenboom
Phys. Chem. Chem. Phys., Vol: 11, No: 23 , published: 05 August 2009
Correlated fine structure branching ratios arising from state-selected predissociation of ClO (A2Π3/2)
Dooley Kristin/Grubb Michael P./Geidosch Justine/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 23 , published: 05 August 2009
Nuclear quadrupole moment of 43Ca and hyperfine-structure studies of its singly charged ion
B. K. Sahoo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 28 July 2009
Электронная структура и спектроскопические свойства норфлоксацина, эноксацина и налидиксовой кислоты
Полищук А.В./Карасева Э.Т./Емелина Т.Б./и др.
Ж. структур. химии, Vol: 50, No: 3 , published: 25 July 2009
High-resolution study of K 3p photoabsorption and resonant Auger decay in KF
M. Patanen, S. Urpelainen, M. Huttula, R. Sankari, V. Kisand, E. Nõmmiste, E. Kukk, H. Aksela, and S. Aksela
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 23 July 2009
Dissociative recombination of BeH+
J. B. Roos, M. Larsson, Ã…. Larson, and A. E. Orel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 1 , published: 06 July 2009
Синтез та люмінесцентні дослідження координаційних сполук лантаноїдів з N,N'-дипіролідино-N''-трихлороацетилфосфортриамідом й диметил-N-трихлороацетиламідофосфатом
Знов'як К.О./Овчиннiков В.А./Мороз О.В./и др.
Доп. Нац. АН Украïни, Vol: 2009, No: 6 , published: 29 June 2009
Будова та властивостi координацiйних сполук 3d-металiв з 2,2,2-трихлоро-N-(дипiперидин-1-iл-фосфорил)ацетамiом
Скопенко В.В./Лiцiс О.О./Овчиннiков В.А./и др.
Доп. Нац. АН Украïни, Vol: 2009, No: 6 , published: 29 June 2009
Doubly excited nonautoionizing P , D , and F states of helium with Coulomb and screened Coulomb potentials
Sabyasachi Kar and Y. K. Ho
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 6 , published: 17 June 2009
A density functional investigation of thiolate-protected bimetal PdAu24(SR)18zclusters: doping the superatom complex
Kacprzak Katarzyna A./Lehtovaara Lauri/Akola Jaakko/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 33 , published: 09 June 2009
Restricted active space spin-flip configuration interaction approach: theory, implementation and examples
Casanova David/Head-Grodon Martin
Phys. Chem. Chem. Phys., Vol: 11, No: 42 , published: 09 June 2009
Cooper-minimum-type structure in proton-induced L1- and L3-subshell x-ray line intensities of Pd measured with high-resolution x-ray spectroscopy
M. Kavčič and Ž. Šmit
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 26 May 2009
Влияние структурной нежесткости на спектры поглощения молекул нитрозобензола, 1-нитрозонафталина и 1-нитрозо-2-нафтола
Жаркова О.М./Морозова Ю.П./Трубачева Е.Н./Артюхов В.Я.
Изв. вузов. Физ., Vol: 52, No: 5 , published: 24 May 2009
Фотоиндуцированные превращения в монокристаллах 1,2-бис(2-_((Е)-3-оксо-3-фенилпроп-1-енил_)фенокси)этана и 1,5-бис(2-_((Е)-3-оксо-3-фенилпроп-1-енил_)фенокси)-3-оксапентана
Овчинникова И.Г./Федорова О.В./Кузьмина Л.Г./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 11 , published: 21 May 2009
Синтез поли(пиридазинохиназолонов)
Пономарев И.И./Разоренов Д.Ю./Петровский П.В.
Изв. РАН. Сер. хим., Vol: 2009, No: 11 , published: 21 May 2009
Синтез 4-нитримидов 1,2,4-триазолия с полифункциональными заместителями
Шитов О.П./Королев В.Л./Тартаковский В.А.
Изв. РАН. Сер. хим., Vol: 2009, No: 11 , published: 21 May 2009
Новый удобный четырехкомпонентный синтез 6-амино-2H,4H-пирано_(2,3-с_)пиразол-5-карбонитрилов и "one-pot"-синтез 6'-амино-1,2-дигидро-5'-цианоспиро_((3Н)-индол-3,4'-(4'H)-пирано_(2,3-с_)пиразол_)-2-онов
Литвинов Ю.М./Родиновская Л.А./Шестопалов А.М.
Изв. РАН. Сер. хим., Vol: 2009, No: 11 , published: 21 May 2009
Малые кластеры никеля. Два низколежащих состояния Ni[3]
Давлятшин Д.И./Серебренников Л.В./Головкин А.В.
Ж. физ. химии, Vol: 83, No: 12 , published: 20 May 2009
Сопоставление времен спин-решеточной релаксации и частот ЯКР {35}Cl трех фаз EtSiCl[3]
Семин Г.К./Бурбело В.М./Брюхова Е.В.
Ж. физ. химии, Vol: 83, No: 12 , published: 20 May 2009
Quantum mechanical study and vibrational spectra in indazolium-3-carboxylate and its decarboxylation product, the N-heterocyclic carbene indazol-3-ylidene
Schmidt Andreas/Snovydovych Bohdan/Casado Juan/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 2 , published: 19 May 2009
The inter-ring σ/(π/π) covalent interactions of cyclodimes of benzenes
Wang Yin-Feng/Li Zhi-Ru/Wang Fang-Fang/Sun Chia-Chung
Phys. Chem. Chem. Phys., Vol: 11, No: 3 , published: 19 May 2009
Effect of the acidic strength on the vapor phase Beckmann rearrangement of cyclohexanone oxime over the MFI zeolite: an embedded ONIOM study
Sirijaraensre Jakkapan/Limtrakul Jumras
Phys. Chem. Chem. Phys., Vol: 11, No: 3 , published: 19 May 2009
Kinetic studies of atmospherically relevant silicon chemistry. Pt I. Silicon atom reactions
Martin Juan C. Gomez/Blitz Mark A./Plane John M.C.
Phys. Chem. Chem. Phys., Vol: 11, No: 4 , published: 19 May 2009
Seven conformers of L-threonine in the gas phase: a LA-MB-FTMW study
Alonso Jose L./Perez Cristopbal/Sanz M. Eugenia/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 4 , published: 19 May 2009
S K-edge NEXAFS spectra of model systems for SO2 on TiO2 (110): a TDDFT simulation
De Francesco R./Stener M./Fronzoni G.
Phys. Chem. Chem. Phys., Vol: 11, No: 8 , published: 19 May 2009
Skeletal Ru/Cu catalysts prepared from crystalline and quasicrystalline ternary alloy precursors: characterization by X-ray absorption spectroscopy and CO oxidation
Highfield James/Liu Tao/Loo Yook Si/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 8 , published: 19 May 2009
Structural and electronic properties of gold microclusters: assessment of the localized Hartree—Fock method
Fabiano E./Piacenza M./Della Sala F.
Phys. Chem. Chem. Phys., Vol: 11, No: 40 , published: 17 May 2009
Characterization of the [X with combining tilde] 1A1 and à 1B2 electronic states of titanium dioxide, TiO2
Wang Hailing/Steimle Timothy C./Apetrei Cristina/Maier John P.
Phys. Chem. Chem. Phys., Vol: 11, No: 15 , published: 17 May 2009
Photoinduced intramolecular electron transfer in a 2,7-diaminofluorene chromophore decorated with two benzophenone subunits
Jin Ming/Malval Jean-Pieere/Morlet-Savary Fabrice/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 15 , published: 17 May 2009
Photodissociation mechanism of methyl nitrate. A study with the multistate second-order multifigurational perturbation theory
Soto Juan/Pelaez Daniel/Otero Juan Carlos/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 15 , published: 17 May 2009
One- and multi-photon cycloreversion reaction dynamics of diarylethene derivative with asymmetrical structure, as revealed by ultrafast laser spectroscopy
Yukihide Ishibashi, Masayuki Mukaida, Magnus Falkenström, Hiroshi Miyasaka, Seiya Kobatake and Masahiro Irie
Phys. Chem. Chem. Phys., Vol: 11, No: 15 , published: 17 May 2009
Влияние лазерного терагерцового излучения на спектральные характеристики и функциональные свойства альбумина
Черкасова О.П./Федоров В.И./Немова Е.Ф./Погодин А.С.
Оптика и спектроскопия, Vol: 107, No: 4 , published: 17 May 2009
Электронная структура, спектрально-люминесцентные и протоноакцепторные свойства биологически активных молекул аминофенолов
Базыль О.К./Артюхов В.Я./Майер Г.В./и др.
Оптика и спектроскопия, Vol: 107, No: 4 , published: 17 May 2009
Complexes of 2,6-dimentylpyridine with water in condensed phases and the dynamical co-operative interactions involving hydrogen bonds
Marczak Wojciech/Kieler Kamila/Czech Bozena/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 15 , published: 17 May 2009
Solid-state 13C and 59Co NMR spectroscopy of 13C-methylcobalt(III) complexes with amine ligands
Ooms Kristopher J./Bernard Guy M./Kadziola Anders/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 15 , published: 17 May 2009
Эффекты столкновительной интерференции линий в спектрах молекул типа симметрического волчка. III. Уширение вращательных переходов со сверхтонкой структурой
Черкасов М.Р.
Оптика и спектроскопия, Vol: 107, No: 4 , published: 17 May 2009
The diatomic dication PO2+
Ágnes Révész, Bálint Sztáray, Detlef Schröder, Klaus Franzreb, Jiří Fišer, Stephen D. Price and Jana Roithová
Phys. Chem. Chem. Phys., Vol: 11, No: 29 , published: 14 May 2009
Ligands bonded to metal ion or through-metal interacting ligands? Analysis of unusual bonds formation in the (BDTA)2[Co(mnt)2] material
Kepenekian Mikael/Le Guennic Boris/Awaga Kunio/Robert Vincent
Phys. Chem. Chem. Phys., Vol: 11, No: 29 , published: 14 May 2009
Supramolecular interactions of fullerenes with (Cl)Fe- and Mn porphyrins. A theoretical study
Liao Meng-Sheng/Watts John D./Huang Ming-Ju
Phys. Chem. Chem. Phys., Vol: 11, No: 29 , published: 14 May 2009
Insights into affinity and specificity in the complexes of α-lytic protease and its inhibiotr proteins: binding free energy from molecular dynamics simulation
Deng Nan-Jie/Cieplak Piotr
Phys. Chem. Chem. Phys., Vol: 11, No: 25 , published: 14 May 2009
Thermodynamics and structure of inclusion compounds of tauro- and glyco-conjugated bile salts and β-cyclodextrin
Holm Rene/Shi Wei/Hartvig Rune A./et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 25 , published: 14 May 2009
Reactivity of poly-alcohols towards OH, NO3 and SO4 in aqueous solution
Hoffmann Dirk/Weigert Barbara/Barzaghi Paolo/Herrmann Hartmut
Phys. Chem. Chem. Phys., Vol: 11, No: 41 , published: 14 May 2009
An in-dept theoretical approach to the design of Cu(II) hybrid-spin magnets
Romanova Julia/Miteva Tsveta/Ivanova Anela/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 41 , published: 14 May 2009
Systematic trends in electronic properties of alkali hydrides
Aymar Mireille/Deigmayr Johannes/Dulieu Olivier
Can. J. Phys., Vol: 87, No: 5 , published: 10 May 2009
Theoretical study of electric moments, polarizabilities and fine and hyperfine coupling constants of the B3Πg, C3Πu, A'5Σg+, and C''5Πu states of N2
Bruna Pablo J./Grein Friedrich
Can. J. Phys., Vol: 87, No: 5 , published: 10 May 2009
Vibrational dependence of the rotational, spinorbit splitting, and lambda-doubling parameters in the C''5Πui state of N2
Pirali O./Tokaryk D.W./Vervloet M.
Can. J. Phys., Vol: 87, No: 5 , published: 10 May 2009
Isotope shifts in the [10/1]4-X4 (0-0) and [10.5]3-X4 (0-0) transitions of NdO
Bernard Alain/Ross Amanda J.
Can. J. Phys., Vol: 87, No: 5 , published: 10 May 2009
Synthesis and structural characterization of a series of mono-O-(diphenylphosphinobenzyl)calis_(6_)arenes with and without tert-butyl moieties at the upper rim
Fujihara Tetsuaki/Kbuouchi Sho/Obora Yasushi/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 9 , published: 07 May 2009
Comment on “Ground state of octahedral platinum hexafluoride”
S. P. Gabuda and S. G. Kozlova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 06 May 2009
Reply to “Comment on `Ground state of octahedral platinum hexafluoride' ”
Luis Alvarez-Thon, Ramiro Arratia-Pérez, and Konrad Seppelt
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 06 May 2009
Indirect spin-orbit K splittings in strontium
J. Nunkaew, E. S. Shuman, and T. F. Gallagher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 04 May 2009
Спектрофотометрическое определение констант ионизации некоторых органических соединений в водных растворах
Лысова С.С./Зевацкий Ю.Э.
Ж. общ. химии, Vol: 79, No: 8 , published: 29 April 2009
Alternative choices of Coulomb channel functions
R. Guérout, Ch. Jungen, H. Oueslati, S. C. Ross, and M. Telmini
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 4 , published: 29 April 2009
Improved analytical approximation to arbitrary l-state solutions of the Schr~:odinger equation for the hyperbolical potentials
Ikhdair Sameer M./Sever Ramazan
Ann. Phys., Vol: 18, No: 10-11 , published: 23 April 2009
Энергии диссоциации связей в нитраминах
Мирошниченко Е.А./Конькова Т.С./Матюшин Ю.Н./Иноземцев Я.О.
Изв. РАН. Сер. хим., Vol: 2009, No: 10 , published: 23 April 2009
Строение мономерных несольватированных и слабосольватированных (Me[2]Cu)Li и (Me[2]Cu)Cu
Полещук П.М./Демьянов П.И./Петросян В.С.
Ж. физ. химии, Vol: 83, No: 11 , published: 23 April 2009
Nonorthogonal tight-binding model for hydrocarbons
M.M. Maslov, A.I. Podlivaev, L.A. Openov
Phys. Lett. A, Vol: 373, No: 18-19 , published: 20 April 2009
Энергия ионизации остовных электронов галогенпроизводных. Поляризационный эффект в F-, Cl-, Br- и I-центрированных катион-радикалах
Хамалетдинова Н.М./Егорочкин А.Н./Кузнецова О.В.
Ж. общ. химии, Vol: 79, No: 10 , published: 09 April 2009
Квантовохимическое изучение хлорфосфоранов. I. Строение молекулы (C[6]H[5])[2]PCl[3] в газообразом и кристаллическом состояниях
Фешин В.П./Фешина Е.В.
Ж. общ. химии, Vol: 79, No: 10 , published: 09 April 2009
Квантовохимическое изучение хлорфосфоранов. II. Строение молекул ряда (Cl[2])[a]P(Cl[n]X[3_-n])[e], взаимное влияние аксиальных и экваториальных заместителей в них
Фешин В.П./Фешина Е.В.
Ж. общ. химии, Vol: 79, No: 10 , published: 09 April 2009
Квантовохимическое изучение хлорфосфоранов. III. Строение молекул ряда (X,X')[a]P(Cl[3])[e], взаимное влияние аксиальных и экваториальных заместителей в них
Фешин В.П./Фешина Е.В.
Ж. общ. химии, Vol: 79, No: 10 , published: 09 April 2009
Geometrical Phase Driven Predissociation: Lifetimes of 22A[prime] Levels of H3
Juan Blandon and Viatcheslav Kokoouline
Phys. Rev. Lett., Vol: 102, No: 14 , published: 08 April 2009
Синтез С-функционализированного ацетилацетона и комплекса европия. Получение и люминесценция европийсодержащих золь-гель пленок
Семенов В.В./Золотарева Н.В./Клапшина Л.Г./и др.
Ж. общ. химии, Vol: 79, No: 9 , published: 07 April 2009
Изучение методами одно и двумерной спектроскопии ЯМР структуры р-трет-бутилзамещенных тиакаликс_(4_)аренов, содержащих амидный фрагмент
Каратаева Ф.Х./Вагизова Р.Р./Стойков И.И./Антипин И.С.
Ж. общ. химии, Vol: 79, No: 9 , published: 07 April 2009
Современные методы экспериментального определения констант диссоциации органических кислот в растворах
Зевацкий Ю.Э./Самойлов Д.В./Мчедлов-Петросян Н.О.
Ж. общ. химии, Vol: 79, No: 9 , published: 07 April 2009
Синтез, строение и каталитические свойства гетероэлементсодержащих карбеновых комплексов вольфрама Ph[3]ECH=W(OBu-t)[2](OPh)[2] (E=Si, Ge)
Сафронова А.В./Бочкарев Л.Н./Фукин Г.К./и др.
Ж. общ. химии, Vol: 79, No: 9 , published: 07 April 2009
Stability thresholds of quantum systems of three charged particles
Simenog I.V./Bidasyuk Y.M./Kuzmenko M.V./Khryapa V.M.
Укр. фiз. ж., Vol: 54, No: 8-9 , published: 26 March 2009
Колюминесценция молекул красителей в наноструктурах из комплексов ионов металлов
Дударь С.С./Свешникова Е.Б./Ермолаев В.Л./и др.
Оптика и спектроскопия, Vol: 107, No: 1 , published: 26 March 2009
Спектрально-люминесцентные и электрохимические свойства циклометаллированных комплексов Rh(III) на основе 1-фенилпиразола с этилендиамином и гетероциклическими дииминами
Иванова Е.В./Пузык М.В./Балашев К.П.
Оптика и спектроскопия, Vol: 107, No: 1 , published: 26 March 2009
Происхождение ненулевого сдвига частоты сверхтонкого перехода в двумерном атомарном водороде
Сафонов А.И./Сафонова И.И./Ясников И.С.
Письма в ЖЭТФ, Vol: 90, No: 1-2 , published: 26 March 2009
Ультрафиолетовые спектры поглощения 2-замещенных-1-(n-винилфенил)циклопропанов
Гулиев К.Г./Пономарева Г.З./Мамедли С.Б./Гулиев А.М.
Ж. структур. химии, Vol: 50, No: 4 , published: 19 March 2009
Фотоиндуцированная изомеризация N-оксида 4-(4'-диметиламиностирил)пиридина
Кондратьева А.П./Лебедева Н.Ш./Губарев Ю.А./и др.
Ж. структур. химии, Vol: 50, No: 4 , published: 19 March 2009
Идентификация электронно-возбужденных синглетных состояний изомеров толуидина
Цеплин Е.Е./Цеплина С.Н./Туймедов Г.М./Хвостенко О.Г.
Оптика и спектроскопия, Vol: 107, No: 2 , published: 19 March 2009
Субнаносекундная спектрофлуориметрия новых производных индолокарбазола в растворах и комплексах с белками и их дипольные моменты
Немкович Н.А./Крученок Ю.В./Собчук А.Н./и др.
Оптика и спектроскопия, Vol: 107, No: 2 , published: 19 March 2009
Особенности межлигандного переноса энергии в мезогенном аддукте европия(III)
Лапаев Д.В./Никифоров В.Г./Сафиуллин Г.М./и др.
Ж. структур. химии, Vol: 50, No: 4 , published: 19 March 2009
О применении метода конечных разностей при расчете колебательно-вращательных энергий
Овсянников Р.И./Йенсен П./Третьяков М.Ю./Юрченко С.Н.
Оптика и спектроскопия, Vol: 107, No: 2 , published: 19 March 2009
Boat form contributions in crowded piperidines: theoretical and experimental study
Thangamani A./Jayabharathi J./Manimekalai A.
Ж. структур. химии, Vol: 50, No: 4 , published: 19 March 2009
Кристаллическая и молекулярная структура (_+)-дифенил-4'-хлорфенил-_((2-гидрокси-1,1-диметилэтил)амино_)метилфосфоната
Добрынин А.Б./Грязнов П.И./Наумова О.Е./и др.
Ж. структур. химии, Vol: 50, No: 4 , published: 19 March 2009
Теоретическая оценка некоторых взаимодействий в системе ацетилен-гидроксид щелочного металла-ДМСО
Витковская Н.М./Кобычев В.Б./Ларионова Е.Ю./и др.
Ж. структур. химии, Vol: 50, No: 1 , published: 14 March 2009
DFT study of the C-Cl bond dissociation enthalpies and electronic structure of substituted chlorobenzene compounds
Li X.-H./Tang Z.-X./Zhang X.-Z.
Ж. структур. химии, Vol: 50, No: 1 , published: 14 March 2009
Реакции 2,3-дигидрофуро_(3,2-c_)кумарин-3-она с ароматическими аминами
Кондратова Н.А./Кажева О.Н./Александров Г.Г./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 9 , published: 12 March 2009
Стереоспецифическое _(2+2_)-фотоциклоприсоединение в псевдодимерном комплексе между N-аммониопропильным производным стирилпиридина и 18-краун-6-содержащем стирилпиридином
Ведерников А.И./Сазонов С.К./Кузьмина Л.Г./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 9 , published: 12 March 2009
Активация малых молекул бис(фосфинитным) пинцетным комплексом родия
Полежаев А.В./Куклин С.А./Иванов Д.М./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 9 , published: 12 March 2009
Синтез несимметричных диалкиламинов на основе амидов дифенилфосфиновой кислоты
Бондаренко Н.А./Харламов А.В./Вендило А.Г.
Изв. РАН. Сер. хим., Vol: 2009, No: 9 , published: 12 March 2009
N-Замещенные _a-трифторметил-_b-нитроамины в синтезе фторсодержащих 1,2-диаминов, аминоспиртов и _b-аминокислот
Коротаев В.Ю./Барков А.Ю./Кодесс М.И./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 9 , published: 12 March 2009
Функционально замещенные производные N-пропаргиланабазина
Мавров М.В./Злотин С.Г.
Изв. РАН. Сер. хим., Vol: 2009, No: 9 , published: 12 March 2009
Синтез и реакции 3-ацетил-6-метил-2-метил-тиопиридина
Завьялова В.К./Зубарев А.А./Шестопалов А.М.
Изв. РАН. Сер. хим., Vol: 2009, No: 9 , published: 12 March 2009
_a-Тиоурендоалкилирование гетероаналогов мочевин
Газиева Г.А./Нелюбина Ю.В./Кравченко А.Н./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 9 , published: 12 March 2009
Изучение взаимодействия 5-метил-1,3,4-тиадиазолин-2-тиона с молекулярным иодом
Черновьянц М.С./Алешина Н.В./Старикова З.А./Сульженко Е.Н.
Изв. РАН. Сер. хим., Vol: 2010, No: 9 , published: 01 March 2009
Исследование парамагнитных производных пространственно-экранированного ди-о-хинона с тетратиафульваленовым мостиком методом ЭПР
Куропатов В.А./Клементьева С.В./Поддельский А.И./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 9 , published: 01 March 2009
Комплексы рутения с P, C, P-пинцетным лигандом на основе рутеноцена и пентаметилрутеноцена
Сафронова С.В./Шелоумов А.М./Крейндлин А.З./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 9 , published: 01 March 2009
Синтез N-ацил-N'-алкилгидразинов по модифицированной реакции Уги
Красавин М.Ю./Бушкова Е.Е./Парчинский В.З./Дорогов М.В.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Синтез сульфамидов, содержащих структурный фрагмент 5-винилиоксазола
Новожилов Ю.В./Карабанова М.В./Корсаков М.К./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Синтез 2,3,4,5-тетрагидро-1H-_g-карболинкарбоновых кислот и их производных
Иващенко А.В./Митькин О.Д./Кузнецова И.В./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Синтез замещенных 3-метил-1-оксо-2,3,4,5-тетрагидро-1H-бензо_(c_)азенино-3-карбоксамидов
Потапов В.В./Ильин А.П./Кравченко Д.В./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Синтез замещенных 1,2,3,4,5,6-гексагидроазепино _(4,3-b_)индолов
Иващенко А.В./Фролов Е.Б./Митькин О.Д./и др
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Синтез замещенных 5-сульфонил-2,3,4,5-тетрагидро-1H-_g-карболинов
Иващенко А.В./Митькин О.Д./Кисиль В.М./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Синтез замещенных 2-сульфонил-2,3,4,5-тетрагидро-1H-_g-карболинов
Иващенко А.В./Митькин О.Д./Кисиль В.М./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Синтез 6-замещенных 1,2,3,4,5,6-гексагидроазепино_(4,3-b_)индолов
Иващенко А.В./Митькин О.Д./Фролов Е.Б./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Дальнейшая модфикация N-ацил-N'-алкилгидразинов, синтезируемых по модифицированной реакции Уги
Красавин М.Ю./Бушкова Е.Е./Парчинский В.З./Дорогов М.В.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Замещенные 2,3,4,5-тетрагидро-1H-пиридо_(4,3-b_)индолы _- антагонисты гистаминовых H[1] рецепторов
Иващенко А.В./Митькин О.Д./Кадиева М.Г./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Синтез 5- и 8-замещенных 2-метил-2,3,4,5-тетрагидро-1H-_g-карболинов _- антагонистов серотониновых 5-HT[6] рецепторов
Иващенко А.В./Фролов Е.Б./Митькин О.Д./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Синтез сульфамидных производных 4-арилизоксазола
Семенычев Е.В./Корсакова М.К./Новожилов Ю.В./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Синтез замещенных 6-бензил- и 6-пиридинилметил-1,2,3,4,56-гексагидроазепино_(4,3-b_)индолов
Иващенко А.В./Фролов Е.Б./Митькин О.Д./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Синтез феноксизамещенных 4-метилникотинонитрилов
Дмитриева И.Г./Дядюченко Л.В./Стрелков В.Д./Чеснюк А.А.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 10 , published: 25 February 2009
Димеризация медь(II)тетра-4-алкоксибензоилксифталоцианина в бензоле, о-ксилоле и хлороформе
Ваширун А.С./Лебедева Н.Ш./Вьюгин А.И./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 8 , published: 21 February 2009
Синтез и свойства трет-бутилзамещенного макрогетероциклического соединения с фрагментами 1,2,4-тиадиазола
Меленчук Т.В./Данилова Е.А./Воронцова А.А./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 8 , published: 21 February 2009
Chemistry of anthracene-acetylene oligomers. XV. Synthesis, structures, and dynamic behavior of chiral anthryelen-ethynylene cyclic teramers and related derivatives and resolution of enantiomers
Ishikawa T./Shimasaki T./Akashi H./et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 3 , published: 21 February 2009
X-ray-absorption spectroscopy beyond the natural width measured in partial Auger yield mode
Yasen Velkov, Yasumasa Hikosaka, Eiji Shigemasa, Tatsuo Kaneyasu, Yusuke Tamenori, Ji-Cai Liu, and Faris Gel'mukhanov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 10 February 2009
Sb4 clusters: 4d core ionization, subsequent Auger decay, and fragmentation pathways of the Auger final states
S. Urpelainen, A. Caló, L. Partanen, M. Huttula, S. Aksela, H. Aksela, S. Granroth, and E. Kukk
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 10 February 2009
Search for weakly bound states of the He-He-Be triatomic system
Yong Li, Hongwei Song, Qingdong Gou, Huili Han, and Tingyun Shi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 2 , published: 05 February 2009
Синтез, химические свойства и кристаллическое строение 2,4,6,8-тетракис(трет-бутил)-9-гидроксифеноксазин-1-она
Симаков В.И./Горбанев Ю.Ю./Ивахненко Т.Е./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 7 , published: 05 February 2009
Тетрадентатные азотсодержащие лиганды _- бис-5-(2-пиридилметилиден)-3,5-дигидро-4H-имидазол-4-оны _- и их координационные соединения с Cu{I} и Cu{II}
Маж'уга А.Г./Белоглазкина Е.К./Шилова О.В./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 7 , published: 05 February 2009
Соли пирано_(4,3-d_)пиридимидиния. Сообщ. 3. Реакции солей 1,3-диметил-2,4-диоксо-1H,3H-пирано_(4,3-d_)пиридимидиния с азометинами
Коструб В.В./Цупак Е.Б.
Изв. РАН. Сер. хим., Vol: 2009, No: 7 , published: 05 February 2009
Соли пирано_(4,3-d_)пиримидиния. Сообщ. 4. Превращения бромидов 5,7-диарил-1,3-диметил-2,4-диоксо-1H,3H-пирано_(4,3-d_)пиримидиния под действием фенилгидразинов и гидразидов ароматических кислот
Коструб В.В./Цупак Е.Б./Смольяков А.Ф.
Изв. РАН. Сер. хим., Vol: 2009, No: 7 , published: 05 February 2009
Спектры ЯМР тиофосфорил- и фосфорилазолов
Воронов В.К./Боровик М.А./Ушаков И.А./и др.
Изв. РАН. Сер. хим., Vol: 2009, No: 7 , published: 05 February 2009
Эфиры 2-алкокси- и 2-арилокси-2-изоцианато-3,3,3-трифторпропионовой кислоты
Соколов В.Б./Горева Т.В./Епишина Т.А./Аксиненко А.Ю.
Изв. РАН. Сер. хим., Vol: 2009, No: 7 , published: 05 February 2009
Влияние строения сквараиновых красителей на их агрегирование в водных растворах
Низамов Ш.Н./Баракаева М.Н./Курталиев Э.Н./и др.
Ж. прикл. спектроскопии, Vol: 76, No: 4 , published: 04 February 2009
Synthesis and properties of stable 1,2-bis(metallocenyl)disilenes: novel d-_p conjugated systems with a Si=Si double bond
Yuasa Akihiro/Sasamori Takahiro/Hosoi Yoshinobu/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 7 , published: 04 February 2009
Synthesis and photophysical properties of N-arylcarbazolophanes
Shimizu Hideyuki/Kakinoya Yasuhiko/Takehira Kazuyuki/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 7 , published: 04 February 2009
Preparation, structures, and properties of new monocarbenium ion compounds stabilized by a 3-guaiazulenyl group and an azobenzene unit: comparative studies on three delocalized _p-electron systems
Takekuma Shin-ichi/Fukuda Kenji/Kawase Yasuko/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 7 , published: 04 February 2009
Highly coplanar polythiophenes with _-C_=CR side chains: self-assembly, linear and nonlinear optical properties, and piezochromism
Yamamoto Takakazu/Sato Takao/Iijima Takayuki/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 7 , published: 04 February 2009
Расчет термодинамических потенциалов изменения трансляционных, ротационных и вибрационных степеней свободы при димеризации ароматических молекул
Костюков В.В./Хомутова Н.М./Евстигнеев М.П.
Хим. физ., Vol: 28, No: 9 , published: 04 February 2009
Bromine adducts of 9,10-diheteratriptycene derivatives
Uchiyama Yosuke/Sugimoto Jun/Shibata Munenori/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 7 , published: 04 February 2009
Isolation and reaction of 1,2-dithietan-3-one: formation of thiolato thiocarboxylato metal complexes
Shigemtomi Toshiyuki/Okuma Kentaro/Nagahora Norioyshi/Yokomori Yoshinobu
Bull. Chem. Soc. Jpn., Vol: 82, No: 7 , published: 04 February 2009
Метод времяразрушенной химической поляризации ядер как инструмент для количественного анализа сверхтонких взаимодействий в короткоживущих радикалах
Кирютин А.С./Иванов К.Л./Морозова О.Б./и др.
Докл. РАН, Vol: 428, No: 3 , published: 03 February 2009
Synthesis and photochemical characteristics of amphiphilic enediyne dendrimers
Yoshimura Nao/Momotake Atsuya/Shinohara Yoshihiro/et al.
Bull. Chem. Soc. Jpn., Vol: 82, No: 6 , published: 27 January 2009
Phthalocyanine, porphyrin, cyclodextrin, and polymer systems suitable for studying by circular dichroism, magnetic circular dichroism, and/or electrochemistry
Kobayashi Nagao/Fukuda Takamitsu
Bull. Chem. Soc. Jpn., Vol: 82, No: 6 , published: 27 January 2009
High-resolution solid-state NMR studies of natural abundant {15}N observed in halogen-bridged one-dimensional complexes, _(NiX(chxn)[2]_)X[2] and _(Pd(chxn)[2]_)Y[4] (chxn=1R,2R)-diaminocyclohexane; Y=X (halogen), NO[3], and ClO[4])
Kimura Noriyoshi/Shimizu Tadashi/Ikeda Ryuichi
Bull. Chem. Soc. Jpn., Vol: 82, No: 6 , published: 27 January 2009
Nuclear quadrupole resonances in compact vapor cells: The crossover between the NMR and the nuclear quadrupole resonance interaction regimes
E. A. Donley, J. L. Long, T. C. Liebisch, E. R. Hodby, T. A. Fisher, and J. Kitching
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 22 January 2009
Structuring molecular hydrogen around ionic dopants: Li+ cations in small pH2 clusters
Ponzi A./Marinetti F./Gianturco Franco A.
Phys. Chem. Chem. Phys., Vol: 11, No: 20 , published: 16 January 2009
Application of B-splines in determining the eigenspectrum of diatomic molecules: robust numerical description of halo-state and Feshbach molecules
Derevianko A./Luc-Koenig E./Masnou-Seeuws F.
Can. J. Phys., Vol: 87, No: 1 , published: 16 January 2009
Modified virtual orbitals for CI calculations of energy splitting in organic diradicals
Barone Vincenzo/Cacelli Ivo/Ferretti Alessandro/Prampolini Giacomo
Phys. Chem. Chem. Phys., Vol: 11, No: 20 , published: 16 January 2009
The structure and vibrational dynamics of the pyrrole dimmer
Kabelac Martin/Hobza Pavel/Spirko Vladimir
Phys. Chem. Chem. Phys., Vol: 11, No: 20 , published: 16 January 2009
Analysis of isotope effects in NMR one-bond indirect nuclear spin-spin coupling constants in terms of localized molecular orbitals
Provasi Patricio F./Sauer Stephan P.A.
Phys. Chem. Chem. Phys., Vol: 11, No: 20 , published: 16 January 2009
Observation of the nuclear magnetic octupole moment of {87}Rb from spectroscopic measurements of hyperfine intervals
Gerginov Vladislav/Tanner Carol E./Johnson W.R.
Can. J. Phys., Vol: 87, No: 1 , published: 16 January 2009
Structure and orientation of small molecules dissolved in the liquid crystalline phases of CsPFO/water system by multinuclear NMR
Borsacchi Silvia/Catalano Donata/Veracini Carlo Alberto
Phys. Chem. Chem. Phys., Vol: 11, No: 20 , published: 16 January 2009
Jahn-Teller Interactions in the Dissociative Recombination of H3+
Ch. Jungen and S. T. Pratt
Phys. Rev. Lett., Vol: 102, No: 2 , published: 16 January 2009
Relativistic corrections of malpha6(m/M) order to the hyperfine structure of the H2+ molecular ion
Vladimir I. Korobov, L. Hilico, and J.-Ph. Karr
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 06 January 2009
Hyperfine energy levels of alkali-metal dimers: Ground-state homonuclear molecules in magnetic fields
J. Aldegunde and Jeremy M. Hutson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 06 January 2009
Фотохромизм 2(2,4-динитробензил)- и 2-(2,4-динитронафтил-1-метил)-бензазолов
Хохлачев В.О./Фролова Т.И./Поняев А.И.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 11 , published: 26 December 2008
Квантовохимическое и корреляционное исследование протонирования хинизарина
Файн В.Я./Зайцев Б.Е./Рябов М.А.
Ж. общ. химии, Vol: 78, No: 12 , published: 25 December 2008
Исследование электронного строения интеркалатов дисульфида молибдена MMoS[2] (M=Cu, Ag) методами рентгеновской эмиссионной и фотоэлектронной спектроскопии
Мазалов Л.Н./Парыгина Г.К./Трубина С.В./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 12 , published: 25 December 2008
Строение, фотохромные и магнитные свойства трис(оксалато)хромата(III) 1-изопропил-3,3,5',6'-тетраметилспиро_(индолин-2,2'-_(2H_)пирано_(3,2-b_)пиридиния_)
Алдошин С.М./Юрьева Е.А./Шилов Г.В./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 12 , published: 25 December 2008
Комплексы карбоксилата диродия(II) с каликс_(4_)резорцинами, функционализированными по верхнему и нижнему ободу молекулы P, N-содержащими фрагментами
Гусева Е.В./Гаврилова Е.Л./Наумова А.А./и др.
Ж. общ. химии, Vol: 78, No: 12 , published: 25 December 2008
Фотохимия комплекса IrCl[6]{2_-} в водных растворах в присутствии бромид-ионов
Глебов Е.М./Плюснин В.Ф./Ткаченко Н.В./Лемметяйнен Х.
Изв. РАН. Сер. хим., Vol: 2008, No: 12 , published: 25 December 2008
Взаимодействие диалкил-2-арил-6-гидрокси-6-метил-4-оксоциклогексан-1,3-дикарбоксилатов с алифатическими аминами
Гейн В.Л./Носова Н.В./Прусакова А.С./и др.
Ж. общ. химии, Vol: 78, No: 12 , published: 25 December 2008
Синтез производных 2-алкил-1-арил-1,2-дигидрохромено_(2,3-c_)пиррол-3,9-дионов
Выджак Р.Н./Панчишин С.Я.
Ж. общ. химии, Vol: 78, No: 12 , published: 25 December 2008
Синтез и окисление сульфидов, содержащих изоциануратный фрагмент
Сайфина Л.Ф./Шулаева М.М./Фаттахов С.Г./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 12 , published: 25 December 2008
A new band system of the MgBr molecule
Uttam K.N./Singh Renu/Tandon Pavitra
Indian J. Phys., Vol: 82, No: 11 , published: 22 December 2008
UV-visible-near IR and infrared spectorscopy of _b-carotene and _b-carotene-iodine complex
Oza A.T./Solanki G.K./Amin Anand/Trivedi Parimal
Indian J. Phys., Vol: 82, No: 11 , published: 22 December 2008
Creation of cyclic _p-electron-conjugated systems through the functionalization of fullerenes and synthesis of their multinuclear metal complexes
Matsuo Yutaka
Bull. Chem. Soc. Jpn., Vol: 81, No: 3 , published: 22 December 2008
Complex formation between a nucleobase and tetracyanoquinodimethane derivatives: crystal structures and transport properties of charge-transfer solids of cytosine
Murata Tsuyoshi/Saito Gunzi/Nishimura Kazukumi/et al.
Bull. Chem. Soc. Jpn., Vol: 81, No: 3 , published: 22 December 2008
Synthesis and structural characterization of dinuclear manganese(III) complexes with cyclam-based macrocyclic ligands having schiff-base pendant arms as chelating agents
Wada Shusaku/Mikuriya Masahiro
Bull. Chem. Soc. Jpn., Vol: 81, No: 3 , published: 22 December 2008
Structure of a barium(II) complex sandwiched by a schiff base macrocycle
Tsukuda Toshiaki/Maeda Satsuki/Yasui Masahiro/et al.
Bull. Chem. Soc. Jpn., Vol: 81, No: 3 , published: 22 December 2008
Photochromic properties of diarylethene derivatives having benzofuran and benzothiophene rings based on regioisomers
Yamaguchi Tadatsugu/Uchida Kingo/Irie Masahiro
Bull. Chem. Soc. Jpn., Vol: 81, No: 5 , published: 19 December 2008
Effects of an axial amino ligand on the spectroscopic and electrochemical properties of amino(methoxo)-(tetraphenylporphyrinato)antimony(V) complexes
Tsunami Shin-ichiro/Tanaka Kousuke/Matsumoto Jin/et al.
Bull. Chem. Soc. Jpn., Vol: 81, No: 5 , published: 19 December 2008
Effects of heteroatom substitution on the structures, physicochemical properties, and redox behavior of nickel(II) complexes with pyridine-containing macrocyclic ligands
Taki Masayasu/Kawashima Yoshiaki/Sakai Naoko/et al.
Bull. Chem. Soc. Jpn., Vol: 81, No: 5 , published: 19 December 2008
Effect of Förster resonances on the excitation statistics of many-body Rydberg systems
A. Reinhard, K. C. Younge, and G. Raithel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 6 , published: 18 December 2008
Теоретическое исследование рекоординации иона металла в полости краун-соединения. Сообщ. 3. Спектры поглощения азакраунсодержащих стириловых красителей и их комплексов и структура молекул в возбужденных состояний
Фрейдзон А.Я./Багатурьянц А.А./Громов С.П./Алфимов М.В.
Изв. РАН. Сер. хим., Vol: 2008, No: 10 , published: 14 December 2008
Синтез и свойства дигетарилзамещенных фураонов. Сообщ. 2. Синтез и фотохромные свойства дитиенилэтенов с пиридазиноновым мостиковым фрагментом
Краюшкин М.М./Пащенко Д.В./Личицкий Б.В./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 10 , published: 14 December 2008
Хироптические свойства и новые производные циклопаллидированного 6-ферроценил-_a,_a-бипиридила. Молекулярная структура трет-бутилизоцианидного производного
Булыгина Л.А./Старикова З.А./Бабиевский К.К./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 10 , published: 14 December 2008
Синтез и конформационный анализ винилфурфуриловых эфиров
Русаков Ю.Ю./Кривдин Л.Б./Синеговская Л.М./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 10 , published: 14 December 2008
Взаимодействие 3-полифторацилхромонов с гидроазинами: новый региоселективный синтез R{F}-содержащих пиразолов
Сосновских В.Я./Иргашев Р.А./Мошкин В.С./Кодесс М.И.
Изв. РАН. Сер. хим., Vol: 2008, No: 10 , published: 14 December 2008
2-(5-О-Нитро-1,4:3,6-диангидро-D-сорбит-2-илокси)-5-R-5-нитро-2-оксо-1,3,2-_l{5}-диоксафосфоринаны: синтез и структура
Орешко Г.В./Еременко Л.Т./Лагодзинская Г.В./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 10 , published: 14 December 2008
ЯМР-исследование четвертичных аммониевыхс олей 5,7-диметил-1,3-диазаадамантан-6-она
Семашко В.С./Вацадзе С.З./Зык Н.В./Годовиков И.А.
Изв. РАН. Сер. хим., Vol: 2008, No: 10 , published: 14 December 2008
Получение и свойства 1,4-бис(2-цианоизопропил)-1,4-дигидрофуллерида бис(бифенил)хрома(I) и 1-(2-цианоизопропил)-1,2-дигидрофуллерена
Маркин Г.В./Шевелев Ю.А./Домрачев Г.А./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 9 , published: 11 December 2008
E/Z(C=N)-Изомеризация аминов некоторых гидроксизамещенных формилкумаринов, индуцируемая растворителями
Травень В.Ф./Иванов И.В./Панов А.В./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 9 , published: 11 December 2008
Комплексы цинка(II) с основаниями Шиффа, производными этилендиамина и салицилового альдегида: синтез и фотолюминесцентные свойства
Котова О.В./Елисеева С.В./Аверюшкин А.С./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 9 , published: 11 December 2008
Синтез и спектрально-электрохимические характеристики новых нафталоцианиновых комплексов лантанидов на основе 6,7-бис(фенокси)-2,3-нафталодинитрила
Дубинина Т.В./Писковой Р.А./Толбин А.Ю./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 9 , published: 11 December 2008
Энергии диссоциации связей O_-H в природных антиоксидантах
Денисова Т.Г./Денисов Е.Т.
Изв. РАН. Сер. хим., Vol: 2008, No: 9 , published: 11 December 2008
Синтез 4-замещенных 3-_(3-диалкиламинометил)индол-1-ил_)малеинимидов и изучение их способности ингибировать протениканизу C-_a, предотвращать развитие множественной лекарственной устойчивости опухолевых клеток и цитотоксичности
Симонов А.Ю./Лакатош С.А./Лузиков Ю.Н./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 9 , published: 11 December 2008
Фосфорилирование гликозидных производных пара-замещенных ароматических аминов
Бобрикова А.А./Коротеев М.П./Коротеев А.М./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 9 , published: 11 December 2008
Физико-химическое исследование сульфита родия
Беляев А.В./Ильяшевич В.Д./Плюснин П.Е.
Ж. структур. химии, Vol: 48, No: 6 , published: 10 December 2008
Анализ тонкой структуры спектров рентгеновского поглощения за K-краем никеля в комплексе Ni(EtOCS[2])[2]
Солдатов А.В./Кравцова А.Н./Мазалов Л.Н./и др.
Ж. структур. химии, Vol: 48, No: 6 , published: 10 December 2008
Теоретическое исследование строения и стабильности ионов Na[2]Cl{+}, NaCl[2]{_-}, Na[3]Cl[2]{+} и Na[2]Cl[3]{_-}
Погребная Т.П./Погребной А.М./Кудин Л.С.
Ж. структур. химии, Vol: 48, No: 6 , published: 10 December 2008
Спектроскопическое вычисление энергии диссоциации связей CH в ряде бромпроизводных алканов, алкенов и аренов
Грибов Л.А./Новаков И.А./Павлючко А.И./Васильев Е.В.
Ж. структур. химии, Vol: 48, No: 6 , published: 10 December 2008
Benzyl group conformation in some 4-benzyl-4-hydroxypiperidines
Manimekalai A./Maruthavanan T./Selvaraju K./Alkorta Ibon
Ж. структур. химии, Vol: 48, No: 6 , published: 10 December 2008
Особливостi люмiесценцi~:i системи ДНК _- стирилцiанiновий барвник
Токар В.П./Лосицький М.Ю./Ящук В.М.
Укр. фiз. ж., Vol: 53, No: 12 , published: 09 December 2008
Кислотно-основные свойства и растворимость N-(6-метил-2,4-диоксо-1,2,3,4-тетрагидро 5H-пиримидин-4-сульфон)-N-изоникотиноилгидразида в растворах биологически активных веществ
Мельникова Н.Б./Чудецкая Ю.В./Волков А.А.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 10ё , published: 09 December 2008
Синтез и строение 1,2-бис(6-ацетил-2-метилбензо_(b_)тиофен-3-ил)циклопентена
Краюшкин М.М./Воронцова Л.Г./Яровенко В.Н./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 11 , published: 09 December 2008
Комплексообразование тритерпеноидов лупанового ряда с метамизолом натрия в растворе
Мельников Н.Б./Домрачев Г.А./Жильцова О.Е./и др.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 10ё , published: 09 December 2008
Синтез и спектральные свойства комплексов фталоцианина европия
Максимова К.Н./Базякина Н.Л./Кутырева В.В./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 11 , published: 09 December 2008
Гидразид антраниловой кислоты в синтезе конденсированных полициклических соединений с хиназолиновыми фрагментами
Ухин Л.Ю./Кузьмина Л.Г./Грибанова Т.Н./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 11 , published: 09 December 2008
Трехкомпонентный синтез трициклических лактамов, содержащих пирролизидин-3-оновый фрагмент
Кудрявцев К.В.
Изв. РАН. Сер. хим., Vol: 2008, No: 11 , published: 09 December 2008
Синтез ациклических нуклеозидов на основе 1,2,4-триазоло_(3,2-c_)_(1,2,4_)триазин-7-онов
Шестакова Т.С./Лукьянова Л.С./Цейтлер Т.А./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 11 , published: 09 December 2008
Определение квантового выхода синглет-триплетной конверсии в молекулах сложных органических соединений методом нелинейной лазерной флуориметрии
Банишев А.А./Маслов Д.В./Фадеев В.В.
Вестн. МГУ. Сер. 3, Vol: 2008, No: 3 , published: 09 December 2008
Моделирование структурных, упругих и электронных свойств новых кубических кристаллов углеродных и BN нанотрубок
Еняшин А.Н./Ивановский А.Л.
Ж. структур. химии, Vol: 49, No: 6 , published: 07 December 2008
Aromatic stability energy studies on five-membered heterocylcic C[4]H[4]M (M=O, S, Se,Te, NH, PH, AsH and Sb(H): DFT calculations
Vessally E.
Ж. структур. химии, Vol: 49, No: 6 , published: 07 December 2008
Guided locally optimal control of quantum dynamics in dissipative environments
Jean Christophe Tremblay and Peter Saalfrank
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 6 , published: 05 December 2008
Люминесценция связанных форм 4,7-дифенил-1,10-фенантролина в мембране NAFION
Шилов С.М./Гавронская К.А./Пак В.Н.
Ж. общ. химии, Vol: 78, No: 10 , published: 04 December 2008
Синтез и основные свойства 5-аза-2,3,7,8,12,13,17,18-октаметилпорфирина
Иванова Ю.Б./Чурахина Ю.И./Семейкин А.С./и др.
Ж. общ. химии, Vol: 78, No: 10 , published: 04 December 2008
Расчеты электронной структуры молекулы UF[6] и кристалла UO[2] с релятивстским псевдопотенциалом
Эварестов Р.А./Панин А.И./Бандура А.В.
Ж. общ. химии, Vol: 78, No: 10 , published: 04 December 2008
Синтез и спектроскопические исследования новых полифторалкилсодержащих индазолонов
Хлебникова Т.С./Исакова В.Г./Барановский А.В./Лахвич Ф.А.
Ж. общ. химии, Vol: 78, No: 10 , published: 04 December 2008
Супрамолекулярные системы на основе дигидрата меламиновой соли бис(гидроксиметил)фосфиновой кислоты (мелафена) и поверхностно-активных веществ. Сообщ. 1. Строение и самоассоциация мелафена в воде и хлороформе
Коновалов А.И./Рыжкина И.С./Муртазина Л.И./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 6 , published: 02 December 2008
Дипольный момент металлоценового предкатализатора в основном и возбужденном состояниях
Лукова Г.В./Милов А.А./Васильев В.П./Смирнов В.А.
Изв. РАН. Сер. хим., Vol: 2008, No: 6 , published: 02 December 2008
Изучение взаимодействия 1-метилимидазолин-2-тиона с молекулярным иодом
Черновьянц М.С./Хохлов Е.В./Лыкова Е.О./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 6 , published: 02 December 2008
Поведение бифенила и родственных соединений в реакциях электрофильного замещения
Овчинников К.Л./Колобов А.В./Кофанов Е.Р.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 8 , published: 02 December 2008
Структура, внутримолекулярные барьеры вращения и энтальпия образования гидропероксида кумола PhCMe[2]OOH по результатам расчетов методом теории функционала плотности
Егорова А.Н./Венер М.В./Жуков И.С./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 6 , published: 02 December 2008
Спектрально-люминесцентные свойства сенсибилизаторов на основе замещенных псоралена
Брянцева Н.Г./Соколова И.В./Светличный В.А./и др.
Изв. вузов. Физ., Vol: 51, No: 7 , published: 01 December 2008
Спектры поглощения и строение производных бензимидазохиназолинона
Зайцев Б.Е./Авакумова В.В./Рябов М.А./и др.
Ж. общ. химии, Vol: 78, No: 8 , published: 01 December 2008
_a-Замещенные ацетилацетонаты дифторида бора
Свистунова И.В./Федоренко Е.В.
Ж. общ. химии, Vol: 78, No: 8 , published: 01 December 2008
Синтез, строение и комплексообразующая способность ферроценоилгидразона пиррол-2-карбальдегида
Распопова Е.А./Попов Л.Д./Морозов А.Н./и др.
Ж. общ. химии, Vol: 78, No: 8 , published: 01 December 2008
Гетеролигандные бипиридил-пиридилбензимидазольные комплексы RU(II). Синтез, структурная характеризация и изучение электронной структуры
Пакальнис В.В./Боровитов М.Е./Балова И.А./и др.
Ж. общ. химии, Vol: 78, No: 8 , published: 01 December 2008
Металлокомплексы тетра(6-трет-бутил-2,3-хинолино)порфиразина. I. Синтез
Ефимова С.В./Корженевский А.Б./Койфман О.И.
Ж. общ. химии, Vol: 78, No: 8 , published: 01 December 2008
Металлокомплексы тетра(6-трет-бутил-2,3-хинолино)порфиразина. II. Спектральные свойства
Ефимова С.В./Корженевский А.Б./Койфман О.И.
Ж. общ. химии, Vol: 78, No: 8 , published: 01 December 2008
Structural changes in 2-diaryl-thiphene-substituted starburst compounds upon charging: a theoretical and spectroelectro-chemical study
Solc R./Lukes V./Rapta P./et al.
ChemPhysChem., Vol: 9, No: 17 , published: 30 November 2008
Absorption spectrum of A-T DNA unraveled by quantum mechanical caluclations in solution on the (dA)(dT)2 tetramer
Santoro F./Barone V./Improta R.
ChemPhysChem., Vol: 9, No: 17 , published: 30 November 2008
Proton/hydrogen-transfer coordinate of 2,.5-dihydroxybenzoic acid investigated in a supersonic beam: combined IR/UV spectroscopy in the S0, S1, and D0 states
Fricke H./Bartl K./Funk A./et al.
ChemPhysChem., Vol: 9, No: 17 , published: 30 November 2008
The origin of the improved efficiency and stability of triphenylamine-substituted anthracene derivatives for OLEDs: a theoretical investigation
Yang B./Kim S.-K./Xu H./et al.
ChemPhysChem., Vol: 9, No: 17 , published: 30 November 2008
Cooperativity between the halogen bond and the hydrogen bond in H3N....XY...HF complexes (X, Y=F, Cl, Br)
Li Q./Lin Q./Li W./et al.
ChemPhysChem., Vol: 9, No: 15 , published: 30 November 2008
Bonding in Mercury molecules described by the normalized elimination of the small componet and coupled cluster theory
Cremer D./Kraka E./Filatov M.
ChemPhysChem., Vol: 9, No: 17 , published: 30 November 2008
OH A2Σ+-X2Π band ratios observed in the mesosphere by OSIRIS
Gattinger R.L./Degenstein D.A./Llewellyn E.J./Stevens M.H.
Can. J. Phys., Vol: 86, No: 7 , published: 28 November 2008
Вычисление КВ-уровней энергии молекулы H[2]. Тестирование обобщенного преобразования Эйлера (GET)
Быков А.Д./Калинин К.В./Круглова Т.В.
Оптика атмосферы и океана, Vol: 21, No: 10 , published: 27 November 2008
Комплексный подход к исследованию фотоники молекул
Артюхов В.Я./Копылова Т.Н./Самсонова Л.Г./и др.
Изв. вузов. Физ., Vol: 51, No: 10 , published: 27 November 2008
Безызлучательный интеркомбинационный переход S(_p_P{*}_!T(_p_p{*}) в дибензо-n-диоксине
Гастилович Е.А./Клименко В.Г./Королькова Н.В./Нурмухаметов Р.Н.
Оптика и спектроскопия, Vol: 105, No: 6 , published: 26 November 2008
Синтез и основные свойства биспорфиринкаликс_(4_)арена
Иванова Ю.Б./Чурахина Ю.И./Мамардашвили Н.Ж.
Ж. общ. химии, Vol: 78, No: 4 , published: 25 November 2008
Новые хелатные лиганды _- 3,3'-бис(дипирролилметены): синтез, спектральные свойства
Гусева Г.Б./Дудина Н.А./Антина Е.В./и др.
Ж. общ. химии, Vol: 78, No: 6 , published: 25 November 2008
Мицеллярный катализ в системах: ариламин-дифениламин-NO-2
Доронин С.Ю./Чернова Р.К.
Ж. общ. химии, Vol: 78, No: 11 , published: 25 November 2008
Смешанно-лигандные циклометаллированные комплексы Pd(II) и Au(III) на основе 2-бензилпиридина
Финагенова Г.О./Балашев К.П.
Ж. общ. химии, Vol: 78, No: 4 , published: 25 November 2008
К анализу составных полос в электронных спектрах поглощения соединений в растворах
Малкова В.И./Макотченко Е.В.
Ж. общ. химии, Vol: 78, No: 6 , published: 25 November 2008
Циклопаллидированные комплексы на основе 4-фенилпиримидина и 4,6-дифенилпиримидина с этилентдиамином
Иванова Е.В./Пузык М.В./Балашев К.П.
Ж. общ. химии, Vol: 78, No: 6 , published: 25 November 2008
мезо-Тетералакилтетрабензопорфирины и их цинковые комплексы. Синтез и свойства
Якубов Л.А./Галанин Н.Е./Шапошников Г.П./и др.
Ж. общ. химии, Vol: 78, No: 6 , published: 25 November 2008
Модификации в структуре палладий(II)порфина как способ регулирования катализа разложения пероксида водорода
Ломова Т.Н./Клюева М.Е./Клюев М.В.
Ж. общ. химии, Vol: 78, No: 11 , published: 25 November 2008
Синтез, строение и свойства новых фосфорсодержащих оснований Шиффа
Попов Л.Д./Бородкин С.А./Щербаков И.Н./и др.
Ж. общ. химии, Vol: 78, No: 4 , published: 25 November 2008
Изучение спиро_(индолин-пиридбензопиранов_) методами дифференциальной импульсной вольтамперометрии на ртутном капельном электроде и квантовой химии
Крикун В.М./Садименко Л.П./Волошина Е.Н./и др.
Ж. общ. химии, Vol: 78, No: 4 , published: 25 November 2008
Особенности дистанционного наблюдения слабых сигналов ядерного квадрупольного резонанса азота {14}N
Гречишкин В.С./Шпилевой А.А./Дыкин В.А.
Изв. вузов. Физ., Vol: 51, No: 8 , published: 25 November 2008
Взаимодействие 4-тозил-2-фенилсульфонил-5-n-хлорфенилсульфонил-1,3-тиазола с O-, N-, S- и C-нуклеофилами
Туров К.В./Драч Б.С.
Ж. общ. химии, Vol: 78, No: 4 , published: 25 November 2008
Три типа взаимодействия 5-(3,5-диметилпиразол-1-ил)-2-фенил-4-циано-1,3-оксазола и его аналогов с азотистыми основаниями
Шаблыкин О.В./Броварец В.С./Русанов Э.Б./Драч Б.С.
Ж. общ. химии, Vol: 78, No: 4 , published: 25 November 2008
Синтез хальконов на основе 2(1H)-пиридона
Калашников В.В./Калашникова И.П./Шестов В.И.
Ж. общ. химии, Vol: 78, No: 6 , published: 25 November 2008
Органокатализ фосфаальдольной реакции
Колодяжная А.О./Кухарь В.П./Колодяжный О.И.
Ж. общ. химии, Vol: 78, No: 11 , published: 25 November 2008
Тетрафункционализированные производные 2,2',7,7'-тетрагидроксидинафтилметана
Масленникова В.И./Сотова Т.Ю./Васянина Л.К./и др.
Ж. общ. химии, Vol: 78, No: 11 , published: 25 November 2008
Photodissociation of hydrated hydrogen iodide clusters
Lee H.M./Klaski M./Kim K.S.
ChemPhysChem., Vol: 9, No: 4 , published: 24 November 2008
Gangliosides' inhibitory effects on NAD glycohydrolase: estimating the solvation effect in the physiological environment
Ueno-Noto K./Hara-Yokoyama M./Takano K.
Bull. Chem. Soc. Jpn., Vol: 81, No: 9 пр , published: 23 November 2008
Effect of hydration and self-association the reaction mechanism of proton transfer in methimazole: a theoretical study
Roohi H./Baghery S./Hosseini S.G.
Bull. Chem. Soc. Jpn., Vol: 81, No: 11 , published: 23 November 2008
Two photon-induced electron injection from a nanotrigger in native endothelial NO-synthase
Beaumont Edward/Lambry Jean-Christophe/Robin Anne-Claire/et al.
ChemPhysChem., Vol: 9, No: 16 , published: 20 November 2008
IR, Raman, and UV/vis spectra of corannelene for use in possible interstellar identification
Rouille Gael/Jager Cornelia/Steglich Mathias/et al.
ChemPhysChem., Vol: 9, No: 14 , published: 20 November 2008
First principles investigation of noncovalent complexation: A [2.2.2]-cryptand ion-binding selectivity study
Su Joe W./Burnette Ronald R.
ChemPhysChem., Vol: 9, No: 14 , published: 20 November 2008
Beyond isotropic tumbling models: nuclear spin realxation in liquids from first principles
Schmidt Jochen/Hutter Jurg/Spiess Hans-Wofgang/Sebastiani Daniel
ChemPhysChem., Vol: 9, No: 16 , published: 20 November 2008
Fluorescence quenching of meso-tetrakis(p-sulfonatophenyl)porphyrin (TSPP) by certain organic dyes
Kathiravan A./Renganathan R.
Z. phys. Chem., Vol: 222, No: 7 , published: 19 November 2008
A study on the fluorescence quenching of eosin by certain organic dyes
Kathiravan A./Anbazhagan V./Asha Jhonsi M./Renganathan R.
Z. phys. Chem., Vol: 222, No: 7 , published: 19 November 2008
Hydrogen atom release dynamics in radical-radical reactions: saturated vs unsaturated
Youn Sung-Eui/Ok You-Hwa/Choi Jong-Ho
ChemPhysChem., Vol: 9, No: 8 , published: 19 November 2008
Photodissociation of 1,2-dibromoethylene at 248 nm: Br2 molecular elimination probed by cavity ring-down absorption spectroscopy
Chang Yuan-Pin/Lee Ping-Chen/Lin King-Chuen/et al.
ChemPhysChem., Vol: 9, No: 8 , published: 19 November 2008
Demination of the radical cation of the base moiety of 2'-deoxycytidine: a theoretical study
Labet Vanessa/Grand Andre/Cadet Jean/Eriksson Leif A.
ChemPhysChem., Vol: 9, No: 8 , published: 19 November 2008
Structure of pyridazine in the S, state: experiment and theory
Ahn D.-S./Choi K.-W./Baek S.J./et al.
ChemPhysChem., Vol: 9, No: 11 , published: 18 November 2008
Selective homogeneous and heterogeneous gold catalysis with alkynes and alkenes: similar behavior, different origin
Garcia-Mota M./Cabello N./Maseras F./et al.
ChemPhysChem., Vol: 9, No: 11 , published: 18 November 2008
Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer
Pitonak M./Riley K.E./Neogrady P./Hobza P.
ChemPhysChem., Vol: 9, No: 11 , published: 18 November 2008
Интерференционные эффекты в процессах резонансного возбуждения 1s_!_p{*} молекулы NO
Демехин Ф.В./Омельяненко Д.В./Сухоруков В.Л./и др.
Ж. структур. химии, Vol: 49, No: прил. , published: 16 November 2008
Рентгеновские спектры эмиссии и поглощения комплекса Cr(CO)[6]: сопоставление с экспериментом результатов расчета квантово-химическими методами и методом полного многократного рассеяния
Ведринский Р.В./Власенко В.Г./Новакович А.А./Норанович О.А.
Ж. структур. химии, Vol: 49, No: прил. , published: 16 November 2008
Электронное строение и рентгеновская спектроскопия внутрикомплексных дитиолатных соединений никеля(II)
Мазалов Л.Н./Крючкова Н.А./Парыгина Г.К./и др.
Ж. структур. химии, Vol: 49, No: прил. , published: 16 November 2008
Photoinduced electron and energy transfer in dyads of porphyrin dimer and perylene tetracarboxylic diimide
Xu Wei/Chen Hailong/Wang Yanfeng/et al.
ChemPhysChem., Vol: 9, No: 10 , published: 09 November 2008
A valence bond study of the low-lying states of the NF molecule
Su Peifeng/Wu Wei/Shaik Sason/Hiberty Philippe C.
ChemPhysChem., Vol: 9, No: 10 , published: 09 November 2008
Effects of hydrogen bonding on tuning photochemistry: concerted hydrogen-bond strengthening and weakening
Zhao Guang-Jiu/Han Ke-Li
ChemPhysChem., Vol: 9, No: 13 , published: 09 November 2008
First and second proton affinities of carbon bases
Tonner Ralf/Heydenrych Greta/Frenking Gernot
ChemPhysChem., Vol: 9, No: 10 , published: 09 November 2008
Interactions of aromatic heterocycles with water: the driving force from free-jet rotational spectroscopy and model elextrostatic calculations
Maris Assimo/Melandri Sonia/Miazzi Marta/et al.
ChemPhysChem., Vol: 9, No: 9 , published: 09 November 2008
The anomalous deuterium isotope effect in the NMR spectrum of methane: an analysis in localized molecular orbitals
Sauer Stephan P.A./Provasi Patricio F.
ChemPhysChem., Vol: 9, No: 9 , published: 09 November 2008
Helical supramolecular architectures of self-assembled linear _p-systems
Praveen Valkail K./Babu Sukumaran S./Vijayakumar Chakkooth/et al.
Bull. Chem. Soc. Jpn., Vol: 81, No: 10 , published: 07 November 2008
Synthesis and characterization of ruthenium complexes having tridentate N-ethyl-N,N-bis(2-pyridylmethyl)amine coordinating in a facial or meridional fashion
Shimizu Yasunori/Fukui Sohei/Oi Takao/Nagao Hirotaka
Bull. Chem. Soc. Jpn., Vol: 81, No: 10 , published: 07 November 2008
Preparation, characterization, and structures of dinuclear cobalt(III) complexes triply bridged by two _M-hydroxo and one _m-carbonato
Ama Tomoharu/Yonemura Toshiaki/Yoshimura Takahisa
Bull. Chem. Soc. Jpn., Vol: 81, No: 10 , published: 07 November 2008
Associative versus dissociative mechanisms of phosphate monoester hydrolysis: on the interpretaiton of activation entropies
Kamerlin S.C.L./Florian J./Warshel A.
ChemPhysChem., Vol: 9, No: 12 , published: 06 November 2008
Multireference configuration interaction studies of HCBr
Burrill Sonya/Grein Friedrich
Can. J. Phys., Vol: 86, No: 11 , published: 02 November 2008
Исследование строения и таутомерии гидрофосфорильных соединений методом функционала плотности
Бабин Ю.В.\Устынюк Ю.А.
Ж. физ. химии, Vol: 81, No: 11 , published: 01 November 2008
Синтез борированных производных феофорбида а
Ольшевская В.А./Зайцев А.В./Савченко А.Н./и др.
Докл. РАН, Vol: 423, No: 3 , published: 30 October 2008
Synthesis and structure-property relationships of symmetric ambipolar quaterfluorene-containing oxadiazole as a central core and diphenylamine as end-capping moieties
Yang Fan/Zhang Xiao Ling/Xiong Mo Jun/et al.
Austral. J. Chem., Vol: 61, No: 7 , published: 30 October 2008
Synthesis, and cyclization to aurones and flavones, of alkoxy-substituted aryl, arylalkynyl ketones
Kerr Penelope J./Pyke Simon M./Ward A. David
Austral. J. Chem., Vol: 61, No: 5 , published: 30 October 2008
DNA-binding and photocleavage behaviour of _(Ru(bpy)[2](MDPZ)_){2+}
Tan Lifeng/Chao Hui/Fei Junjie/et al.
Austral. J. Chem., Vol: 61, No: 5 , published: 30 October 2008
Synthesis, characterization, DNA binding, and photocleavage of _(Ru(bpy)[2](MFIP)_){2+} and _(Ru(phen)[2](MFIP)_){2+}
Tan Lifeng/Zhang Sheng/Liu Xiaohua/Xiao Yue
Austral. J. Chem., Vol: 61, No: 9 , published: 30 October 2008
Synthesis, charcterization, and DNA binding studies of ruthenium(II) complexes with 2-pyridyl-1H-anthra_(1,2-d_)imidazole-6,11-dione
Yuan Yi-Xian/Wang Yi-Can/Jiang Long/et al.
Austral. J. Chem., Vol: 61, No: 9 , published: 30 October 2008
Computationa study of CO reactivity with Nb[3]X heteronuclear clusters
Addicoat Matthew A./Methya Gregory F.
Austral. J. Chem., Vol: 61, No: 11 , published: 30 October 2008
Синтез дитерпеновых алкалоидов нового структурного типа из малеопимаровой кислоты
Чернов С.В./Шульц Э.Э./Шакиров М.М./и др.
Докл. РАН, Vol: 423, No: 3 , published: 30 October 2008
Synthesis of novel chiral (thio)ureas and their application as organocatalysis and ligands in asymmetric synthesis
Hernandez-Rodriguez Marcos/Avila-Ortiz Claudia Gabriela/Del Campo Jorge M./et al.
Austral. J. Chem., Vol: 61, No: 5 , published: 30 October 2008
Эффект тяжелого атома в бузызлучательном переходе S[1](_p_p{*}__!T[1](_p_p{*}). 9,10-дихлорантрацен
Гастилович Е.А./Клименко В.Г./Королькова Н.В./Нурмухаметов Р.Н.
Оптика и спектроскопия, Vol: 105, No: 4 , published: 30 October 2008
Relaxation processes following 1s photoionization and Auger decay in Ne2
K. Kreidi, T. Jahnke, Th. Weber, T. Havermeier, X. Liu, Y. Morisita, S. Schössler, L. Ph. H. Schmidt, M. Schöffler, M. Odenweller, N. Neumann, L. Foucar, J. Titze, B. Ulrich, F. Sturm, C. Stuck, R. Wallauer, S. Voss, I. Lauter, H. K. Kim, M. Rudloff, H. Fukuzawa, G. Prümper, N. Saito, K. Ueda, A. Czasch, O. Jagutzki, H. Schmidt-Böcking, S. Stoychev, Ph. V. Demekhin, and R. Dörner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 4 , published: 30 October 2008
Fourier-transform spectroscopy of Sr2 and revised ground-state potential
A. Stein, H. Knöckel, and E. Tiemann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 4 , published: 29 October 2008
A full-dimensional quantum dynamical study of the vibrational ground state of H[3]O[2{-}] and its isotopomers
Yang Y./Kuhn O.
Z. phys. Chem., Vol: 222, No: 8-9 , published: 29 October 2008
The effect of environment on the dynamics of proton dissociation in water
Radozkowicz L./Project E./Gepshtein R./et al.
Z. phys. Chem., Vol: 222, No: 8-9 , published: 29 October 2008
Theoretical study with spin-ortib effects and electronic transition moment calculation of the ion NaCs
Korek M./Badreddine K.Allouche A.R.
Can. J. Phys., Vol: 86, No: 8 , published: 28 October 2008
Potential-energy curves of the CH radical molecule under spin-orbit coupling
Song Chengqun/Han Huilei/Zhang Yunguang/et al.
Can. J. Phys., Vol: 86, No: 10 , published: 28 October 2008
Hyperfine interactions in H[2]N
Brill A.S.
Can. J. Phys., Vol: 86, No: 6 , published: 28 October 2008
Расчеты модифицированным методом INDO производных порфина и порфиразина с аннелированным пятичленным гетероароматическим циклом
Волкович Д.И./Кузьмицкий В.А./Стужин П.А.
Ж. прикл. спектроскопии, Vol: 75, No: 5 , published: 24 October 2008
Спектрально-люминесцентные свойства _g-пирилоцианинов и их гетероаналогов с модифицированными комплексными анионами
Коботаева Н.С./Микубаева Е.В./Скороходова Т.С./и др.
Ж. прикл. спектроскопии, Vol: 75, No: 5 , published: 24 October 2008
Генерация синглетного кислорода индотрикарбоцианиновыми красителями в малополярных средах
Самцов М.П./Воропай Е.С./Каплевский К.Н./Мельников Д.Г.
Ж. прикл. спектроскопии, Vol: 75, No: 5 , published: 24 October 2008
Флуоресцентные характеристики кумариновых фотосенсибилизаторов
Брянцева Н.Г./Соколова И.В./Цырепжапова А.Б./и др.
Ж. прикл. спектроскопии, Vol: 75, No: 5 , published: 24 October 2008
Спектрально-люминесцентные свойства металлокомплексов гидропорфиразинов
Першукевич П.П./Шушкевич И.К./Макарова Е.А./Соловьев К.Н.
Ж. прикл. спектроскопии, Vol: 75, No: 5 , published: 24 October 2008
Влияние циклопаллидрования на спектроскопические свойства кумаринового красителя
Родионова О.А./Пузык М.В./Балашев К.П.
Оптика и спектроскопия, Vol: 105, No: 1 , published: 24 October 2008
Влияние вибронно-индуцированной спин-орбитальной связи электронных _p_p{*}-состояний на безызлучательную интеркомбинационную конверсию. Антрацен
Гастилович Е.А./Клименко В.Г./Королькова Н.В./и др.
Оптика и спектроскопия, Vol: 105, No: 1 , published: 24 October 2008
К поиску вариации постоянной тонкой структуры: неэмпирический расчет HfF{+}
Скрипников Л.В./Мосягин Н.С./Петров А.Н./Титов А.В.
Письма в ЖЭТФ, Vol: 88, No: 9-10 , published: 23 October 2008
Исследование абсорбционных характеристик молекулярного кислорода в системе Шумана_-Рунге при высоких температурах. I. Расчеты спектров поглощения
Быкова Н.Г./Кузнецова Л.А.
Оптика и спектроскопия, Vol: 105, No: 5 , published: 23 October 2008
Исследование абсорбционных характеристик молекулярного кислорода в системе Шумана_-Рунге при высоких температурах. II. Эксперимент, сравнение с расчетрами
Быкова Н.Г./Забелинский И.Е./Ибрагимова Л.Б./Шаталов О.П.
Оптика и спектроскопия, Vol: 105, No: 5 , published: 23 October 2008
Линии поглощения и излучения молекулы ртути в ртутной газоразрядной лампе
Горбунков В.И./Соломонов В.И.
Оптика и спектроскопия, Vol: 105, No: 5 , published: 23 October 2008
Идентификация возбужденных синглетных состояний изомеров хлорфенола
Цеплин Е.Е./Цеплина С.Н./Туймедов Г.М./Хвостенко О.Г.
Оптика и спектроскопия, Vol: 105, No: 3 , published: 23 October 2008
Электронная структура и внутримолекулярные фотофизические процессы катионов симметричных индополикарбоцианиновых красителей
Базыль О.К./Светличный В.А./Артюхов В.Я./Ищенко А.А.
Оптика и спектроскопия, Vol: 105, No: 3 , published: 23 October 2008
Синтез и спектрально-люминесцентные свойства комплексов Pt(II) и Pd(II) с 2,3,5,6-тетракис(2-пиридил)пиразином
Хахалина М.С./Музык М.В./Балашев К.П.
Оптика и спектроскопия, Vol: 105, No: 3 , published: 23 October 2008
Квантово-химическое изучение роли конических пересечений в процессах фотоизомеризации комплекса _(RuCl[5]NO_){2-}
Барановский В.И./Сизова О.В.
Ж. структур. химии, Vol: 49, No: 5 , published: 22 October 2008
Theoretical studies on the structure and spectroscopic properties of pseudohalides
Okulik N.B./Jubert A.H./Castro E.A.
Ж. структур. химии, Vol: 49, No: 5 , published: 22 October 2008
Химический эффект Зенона и его проявления
Бердинский В.Л./Якунин И.Н.
Докл. РАН, Vol: , No: , published: 22 October 2008
Тиилирование и сульфонилирование N,N-диметиламинозамещенных енонов
Никитинская П.А./Герасимова Н.П./Москвичев Ю.А./и др.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 4 , published: 21 October 2008
Некоторые теоретические аспекты рассмотрения региоселективности нитрования бифенила
Овчинников К.Л./Мамонтов М.А./Панфилов С.Т./и др.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 4 , published: 21 October 2008
Особенности нитрования 4-фенилциклогексан-1,2-дикарбоновой кислоты
Кофанов Е.Р./Борисов П.В./Колобов А.В./и др.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 4 , published: 21 October 2008
Тетраантра_(2,3-b,g,l,q_)порфирин
Алещенков С.Э./Чепраков А.В./Белецкая И.П.
Докл. РАН, Vol: 422, No: 2 , published: 19 October 2008
Фрагментация распыленных кластеров Si[n]O[m]{+}: кинетические энергии распада и энергии диссоциации
Джемилев Н.Х./Коваленко С.Ф./Лифанова Л.Ф./и др.
Изв. РАН. Сер. физ., Vol: 72, No: 7 , published: 19 October 2008
Образование и распад нитридов под действием ионных пучков
Микушкин В.М./Брызгалов В.В./Гордеев Ю.С./Давыдов В.Ю.
Изв. РАН. Сер. физ., Vol: 72, No: 5 , published: 19 October 2008
Синтез координацiйних сполук деяких d-металiв та уранiл-iона з 5-(4-пiридил)-1,2,4-триазол-_a-iлоцтовою кислотою та i~:i амiдом
Хоменко Д.М./Дорощук Р.О./Лампека Р.Д.
Доп. Нац. АН Украïни, Vol: 2008, No: 9 , published: 16 October 2008
Мас-спектрометричнi дослiдження молекули глюкози
Шпеник О.Б./Завiпуло А.Н./Агафонова А.С./Романова Л.Г.
Доп. Нац. АН Украïни, Vol: 2008, No: 5 , published: 15 October 2008
Необычные супрамолекулярные донорно-акцепторные комплексы бис(краун)стильбенов и бис(краун)азобензола с аналогами виологенов
Громов С.П./Ведерников А.И./Ушаков Е.Н./Алфимов М.В.
Изв. РАН. Сер. хим., Vol: 2008, No: 4 , published: 14 October 2008
Квантовохимическое и корреляционное исследование таутометрии и ионизации 1,2,3-тригидрокси-9,10-антрахинона
Файн В.Я./Зайцев Б.Е./Рябов М.А.
Ж. общ. химии, Vol: 78, No: 7 , published: 13 October 2008
Синтез и спектральные свойства мезо-фенилзамещенных тетрабензоазапорфиринов, содержащих трифенилметильные группы
Галанин Н.Е./Якубов Л.А./Кудрик Е.В./Шапошников Г.П.
Ж. общ. химии, Vol: 78, No: 7 , published: 13 October 2008
Фталоцианины и родственные соединения. XLVI. Реакция _(4+2_)-циклопроисоединения тетраазапорфина с диенами ряда циклопентадиена
Дудкин С.В./Макарова Е.А./Лукьянец Е.А.
Ж. общ. химии, Vol: 78, No: 7 , published: 13 October 2008
Синтез и спектральные свойства тетра(6-трет-бутил-2,3-хиноксалино)порфиразина и его металлокомплексов
Ефимова С.В./Корженевский А.Б./Койфман О.И.
Ж. общ. химии, Vol: 78, No: 7 , published: 13 October 2008
Исследование пространственной и электронной структуры комплексов катионов пирилия и тиопирилия с анионом борабензола
Гридин М.К./Милов А.А./Стариков А.Г./Миняев Р.М.
Ж. общ. химии, Vol: 78, No: 7 , published: 13 October 2008
Энергия связи 1s-электронов атомов кислорода. Эффекты заместителей в О-центрированных катион-радикалах и родственных электронодефицитных системах
Егорочкин А.Н./Кузнецова О.В./Хамалетдинова Н.М.
Ж. общ. химии, Vol: 78, No: 7 , published: 13 October 2008
Фосфорсодержащие гиперразветвленные структуры. Фосфорилирование гиперарзветвленных полиолов 2-(N,N-диэтиламидо)-1,3,2-диоксафосфоринаном
Низамов И.С./Шамилов Р.Р./Мартынов Е.М./и др.
Ж. общ. химии, Vol: 78, No: 7 , published: 13 October 2008
Водный гидролиз сложных эфиров 1-(2-аминоэтил)-3-метил- и 1-(2-аминоэтил)-5-метилпиразолов
Аттарян О.С./Балтаян А.О./Асратян Г.В.
Ж. общ. химии, Vol: 78, No: 7 , published: 13 October 2008
Dissociative states of SF42+ probed by fragment momentum spectroscopy
B. Bapat, Vandana Sharma, and S. V. K. Kumar
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 4 , published: 03 October 2008
Hyperfine energy levels of alkali-metal dimers: Ground-state polar molecules in electric and magnetic fields
J. Aldegunde, Ben A. Rivington, Piotr S. Żuchowski, and Jeremy M. Hutson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 30 September 2008
Состав и строение гетероассоциатов, образующихся в двойной жидкой системе HF-CH3CN
Тараканова Е.Г./Юхневич Г.В.
Ж. структур. химии, Vol: 49, No: 4 , published: 25 September 2008
Angle-resolved photoion yield and resonant Auger spectroscopy for the doubly excited Rydberg states above the C 1s threshold of CO
M. Kitajima, R. Püttner, S. L. Sorensen, T. Tanaka, M. Hoshino, H. Fukuzawa, A. De Fanis, Y. Tamenori, R. Sankari, M. N. Piancastelli, H. Tanaka, and K. Ueda
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 19 September 2008
β-Ацетил-β-нитростиролы: строение и применение в синтезе гетрилсодержащих структур
Абоскалова Н.И./Смирнова Н.Н./Катаева О.Н./и др.
Ж. общ. химии, Vol: 78, No: 9 , published: 01 September 2008
Влияние структурных и сольватационных факторов на хромофорные свойства и устойчивость химических форм линейных тетрапирролов
Макарова С.П./Румянцев Е.В./Антина Е.В.
Ж. общ. химии, Vol: 78, No: 9 , published: 01 September 2008
Синтез и спектральные свойства 13-(гептилокси)фенокси)уксусной кислоты и мезо-замещенных тетрабензопорфиринов на ее основе
Галанин Н.Е./Якубов Л.А./Шпошников Г.П.
Ж. общ. химии, Vol: 78, No: 9 , published: 01 September 2008
Смешанно-лигандные комплексы Pt(II) и Pd(II) на основе циклометалированного 2-фенилпиридина и полипиридильных лигандов
Финагенова Г.О./Никифорова А.А./Пузык М.В./Балашев К.П.
Ж. общ. химии, Vol: 78, No: 9 , published: 01 September 2008
Фталоцианины и родственные соединения. XLVII. Нуклеофильное замещение атомов хлора в тетрахлорфталонитриле: синтез фенил(алкил)аминозамещенных фталонитрилов и некоторых фталоцианинов на их основе
Волков К.А./Авраменко Г.В./Негримовский В.М./Лукьянец Е.А.
Ж. общ. химии, Vol: 78, No: 9 , published: 01 September 2008
Symmetry-resolved x-ray absorption fine structure and resonant Auger-spectator-electron decay study of O 1s-->Rydberg resonances in O2
T. Tanaka, R. Feifel, M. Kitajima, H. Tanaka, S. L. Sorensen, R. Sankari, A. De Fanis, M.-N. Piancastelli, L. Karlsson, and K. Ueda
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 29 August 2008
Динамическое тушение флуоресценции и высшие возбужденные состояния молекул
Томин В.И.
Оптика и спектроскопия, Vol: 105, No: 2 , published: 23 August 2008
Интерпретация электронных спектров Fe- и Co-порфиринов на основе квантово-химических расчетов методом функционала плотности
Маслов В.Г.
Оптика и спектроскопия, Vol: 105, No: 2 , published: 23 August 2008
Влияние формы неплоских колебательных мод на вибронно-индуцированную спин-орбитальную связь ππ*-состояний в безызлучательных интеркомбинационных переходах
Гастилович Е.А./Королькова Н.В./Серов С.А./и др.
Оптика и спектроскопия, Vol: 105, No: 2 , published: 23 August 2008
Formalism of the displaced squeezed Fock states for variational calculations of highly excited ro-vibrational levels: Diatomic molecules
M. Rey, F. Michelot, and Vl. G. Tyuterev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 13 August 2008
Spin-orbit coupled Bose-Einstein condensates
Tudor D. Stanescu, Brandon Anderson, and Victor Galitski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 11 August 2008
Связь между предельной яркостной температурой расширяющихся импульсных сильноточных разрядов в плотных газах и потенциалами ионизации их атомов
Юсупалиев У.
Кpатк. сообщ. по физ. ФИAН, Vol: 2007, No: 9 , published: 10 August 2008
Spin effects in (6s1/2+6p1/2)0<sub>u</sub><sup>+</sup> 133Cs2 weakly bound molecules analyzed by using the Lu-Fano method coupled to the improved LeRoy-Bernstein formula
Haikel Jelassi, Bruno Viaris de Lesegno, Laurence Pruvost, Marin Pichler, and William C. Stwalley
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 05 August 2008
Calculation of the electron-nucleus scalar-pseudoscalar interaction constant WS for YbF and BaF molecules: A perturbative approach
Malaya K. Nayak and Rajat K. Chaudhuri
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 16 July 2008
Potassium ground-state scattering parameters and Born-Oppenheimer potentials from molecular spectroscopy
Stephan Falke, Horst Knöckel, Jan Friebe, Matthias Riedmann, Eberhard Tiemann, and Christian Lisdat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 11 July 2008
Nuclear mass correction to the magnetic interaction of atomic systems
Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 11 July 2008
Universal control of nuclear spins via anisotropic hyperfine interactions
J. S. Hodges, J. C. Yang, C. Ramanathan, and D. G. Cory
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 08 July 2008
Rovibrational quantum interferometers and gravitational waves
Andreas Wicht, Claus Lämmerzahl, Dennis Lorek, and Hansjörg Dittus
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 1 , published: 07 July 2008
Direct ab initio dynamics study on the reaction of CH3CHF2 (HFC-152a) with the Cl atom
Sun Hao/He Hongqiang/Liu Jingyao/et al.
ChemPhysChem., Vol: 9, No: 6 , published: 19 June 2008
Completitive activation of C-H and C-X bonds in reactions of Pt+ with CH3X (X=F, Cl): experiment and theory
Zhao Xiang/Hopkinson Alan C./Bohme Diethard K.
ChemPhysChem., Vol: 9, No: 6 , published: 19 June 2008
Electronic structure of the ground and excited states of β-carboline
Mondejar Vicente Perez/Guesta Inmaculada Garcia/Lazzeretti Paolo/et al.
ChemPhysChem., Vol: 9, No: 6 , published: 19 June 2008
Получение, молекулярная и кристаллическая структура 3-(1-амино-2,2,2-трифторэтилиден)-1,1,4,5,6,7-гексафториндан-2-она, 2-амино-1,1,4,5,6,7-гексафтор-3-трифторацетилендена и их комплексов с диоксаном и пиридином
Рыбалова Т.В./Карпов В.М./Гатилов Ю.В./Шакиров М.М.
Ж. структур. химии, Vol: 49, No: 3 , published: 19 June 2008
Сравнительное изучение возможностей полноэлектронного базисного набора и псевдопотенциала для атома иода в квантово-химических расчетах иодсодержащих соединений методом функционала плотности
Юрьева А.Г./Полещук О.Х./Филимонов В.Д.
Ж. структур. химии, Vol: 49, No: 3 , published: 19 June 2008
Theoretical study on the complexes of benzene with isoelectronic nitrogen-containing heterocycles
Wang Weizhou/Hobza Pavel
ChemPhysChem., Vol: 9, No: 7 , published: 11 June 2008
First observation of the elusive iodocarbene: ground state multiplicity and singlet—triplet gap of CHI
Tao Chong/Ebben Carlena/Ko Hsiang-Ting/Reid Scott A.
Phys. Chem. Chem. Phys., Vol: 10, No: 40 , published: 09 June 2008
Ab initio study of ground state MH2, HMHe+ and MHe22+, M=Mg, Ca
Page Alister J./von Nagy Felsobuki Ellak I.
Phys. Chem. Chem. Phys., Vol: 10, No: 9 , published: 09 June 2008
Ab initio calculations on low-lying electronic states of SnCl2- and Franck-Condon simulation of its photodetachment spectrum
Lee Edmond P.F./Dyke John M./Mok Daniel K.W./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 6 , published: 09 June 2008
Синтез металлокомплексов трет-бутилзамещенного макрогетероциклического соединения ABABAB-типа с лантаном, лютенцием и тулием
Бумбина Н.В./Данилова Е.А./Исляйкин М.К.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 6 , published: 09 June 2008
A new sensitive detection scheme for helium nanodroplet isolation spectroscopy: application to benzene
Loginov Evgeniy/Braun Andreas/Drabbels Marcel
Phys. Chem. Chem. Phys., Vol: 10, No: 40 , published: 09 June 2008
Mid-IR spectra of diffrent conformers of pheynylalanine in the gas phase
von Helden G./Compagnon I./Blom M.N./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 9 , published: 09 June 2008
Spectroscopic and photophysical studies of the hydroquinone family of photochromic Schiff bases analyzed over a 17-ordres-of-magnitude time scale
Ziolek Marcin/Burdzinski Gotard/Filipczak Katarzyna/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 9 , published: 09 June 2008
The cysteine radical cation: structures and fragmentation pathways
Zhao Junfang/Siu K. W. Michael/Hpokinson Alan C.
Phys. Chem. Chem. Phys., Vol: 10, No: 2 , published: 09 June 2008
Trapped-molecule charge-transfer complexes with huge dipoles: M–C2F6–X (M = Na to Cs, X = Cl to I)
Naumkin Fedor Y.
Phys. Chem. Chem. Phys., Vol: 10, No: 46 , published: 09 June 2008
Carbohydrate—protein recognition probed by density functional theory and ab initio calculations including dispersive interactions
Raju Rajesh K./Ramraj Anitha/Vincent Mark A./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 43 , published: 09 June 2008
Photogeneration of metastable side-on N2 linkage isomers in [Ru(NH3)5N2]Cl2, [Ru(NH3)5N2]Br2 and [Os(NH3)5N2]Cl2
Schaniel Dominik/Woike Theo/Delley Bernard/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 36 , published: 09 June 2008
The importance of the oxidative character of doubly charged metal cations in binding neutral bases. _(Urea-M_){2+} and _(thioura-M_){2+} (M=Mg, Ca, Cu) complexes
Trujullo Cristina/Lamsabhi Al Mokhtar/M~1o Otilia/Y~1a~6nez Manuel
Phys. Chem. Chem. Phys., Vol: 10, No: 22 , published: 09 June 2008
Особенности строения комплексонов _- производных этилендиамина
Гридчин С.Н./Базанов М.И.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 6 , published: 09 June 2008
A theoretical study of AmOn and CmOn (n=1, 2)
Kovacs Attila/Konings Rudy J.M./Raab Juraj/Galiardi Laura
Phys. Chem. Chem. Phys., Vol: 10, No: 8 , published: 09 June 2008
Vibtrational spectroscopy of anionic nitrate complexes of UO22+ and Eu3+ isolated in the gas phase
Goenewold G.S./Oomens J./de Jong W.A./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 8 , published: 09 June 2008
Real wave packet and quasiclassical trajectory studies of the H++LiH reaction
Bulut N./Castillo J.F./Aoiz F.J./Bauares L.
Phys. Chem. Chem. Phys., Vol: 10, No: 6 , published: 09 June 2008
Detailed analysis of the cation groun state of three dichlorobenzenes by mass analyzed threshold ionization spectroscopy
Gaber Angela/Riese Mikko/Grotemeyer Juergen
Phys. Chem. Chem. Phys., Vol: 10, No: 8 , published: 09 June 2008
Towards understanding of magnetic interactions within a series of tetrathiafulvalene-π conjugated-verdazyl diradical cation system. A density functional theory study
Polo Victor/Alberola Antonio/Andres Juan/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 6 , published: 09 June 2008
Assessment of a computational strategy approaching spectroscopic accuracy for structure, magnetic properties and vibrational frequencies of organic free radicals: the F2CN and F2BO case
Puzzarini Cristina/Barone Vincenzo
Phys. Chem. Chem. Phys., Vol: 10, No: 46 , published: 09 June 2008
Electronic structure and spectroscopy of "superoxidized" iron centers in model systems: theoretical and experimental trends
Berry John F./Goerge Serena DeBeer/Neese Frank
Phys. Chem. Chem. Phys., Vol: 10, No: 30 , published: 09 June 2008
Nuclear quadrupole hyperfine structure in HC14N/H14NC and DC15N/D15NC isomerization: a diagnostic tool for characterizing vibrational localization
Wong Bryan M.
Phys. Chem. Chem. Phys., Vol: 10, No: 36 , published: 09 June 2008
The indirect through-space F—F coupling in peri-difluoronaphthalene: is it anisotropic?
Emsley J.W./De Luca G./Lesage A./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 43 , published: 09 June 2008
Solid-state phosphorus-31 NMR spectroscopy of a multiple-spin system: an investigation fo rhodium-triphosphine complex
Bernard Guy M./Fendel Krik W./Wasylishen Roderick E./Cameron T. Stanley
Phys. Chem. Chem. Phys., Vol: 10, No: 36 , published: 09 June 2008
Comment on autoionization at the surface of neat water: is the top layer pH neutral, basic, or acidic? by R. V~1acha, V. Buch, A. Milet, J. P. Devlin and P. Jungwith, Phys. Chem. Chem. Phys., 2007, 9, 4736
Beattie James K.
Phys. Chem. Chem. Phys., Vol: 10, No: 2 , published: 09 June 2008
Response to Comment on autoionization at the surface of neat water: is the top layer pH neutral, basic, or acidic? by J. K. Beattie, Phys. Chem. Chem. Phys., 2007, 9, DOI: 10. 1039/b713702h
Vacha Robert/Buch Victoria/Milet Anne/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 2 , published: 09 June 2008
Theoretical study of the ArH+ photodissociation
Alekseyev Aleksey B.\Liebermann Heinz-Peter\Buenker Robert J.
Phys. Chem. Chem. Phys., Vol: 9, No: 37 , published: 28 May 2008
Coordination and solvation of copper ion: infrared photodissociation spectroscopy of Cu+(NH3)n (n=3-8)
Inoue Kazuya\Ohashi Kazuhiko\Iino Takuro\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 34 , published: 28 May 2008
Аминокислоты в каталитическом синтезе _a-аминофосфонатов
Матвеева Е.Д.\Подругина Т.А.\Присяжной М.В.\Зефиров Н.С.
Вестн. МГУ. Сер. 2, Vol: 48, No: 5 , published: 28 May 2008
Sequential multiphoton absorption enhancement induced by zinc complexation in functionalized distyrylbenzene analogs
Fabbrini Graziano\Ricco Raffaele\Menna Enzo\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 5 , published: 27 May 2008
Особенности формирования сверхтонкой структуры при наличии вращательных движений в магнитных наноматериалах и жидкостях
Чуев М.А.\Аксенова Н.П.\Медведев П.Г.
Изв. РАН. Сер. физ., Vol: 71, No: 9 , published: 27 May 2008
Millimetre wave spectroscopy of PANHs: phenanthridine
McNaughton Don\Godfrey Peter D.\Brown Ronald D.\Thorwirth Sven
Phys. Chem. Chem. Phys., Vol: 9, No: 5 , published: 27 May 2008
Новые автоинтеркалированные гипералмазы C[28],Ti@C[28] и Zn@C[28}: кристаллическая структура, упругие и электронные свойства
Еняшин А.Н.\Ивановский А.Л.
Письма в ЖЭТФ, Vol: 86, No: 7-8 , published: 23 May 2008
Performance of multi-configurational caclulations for a 1,4-bis(phenyllethynyl)benzene derivative conjugated molecule
J. C. Sancho-Garcia,A. J. Pérez-Jiménez
Phys. Chem. Chem. Phys., Vol: 10, No: 17 , published: 22 May 2008
Реакции о-ацилпроизводных 1,4-бензохинонмонооксимов с алифатическими аминами и гидроксиламином
Озер Г./Сакилиди В.Т./Горностаев Л.М.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 5 , published: 22 May 2008
Взаимодействие кластера Fe[3]O[4] с моногидратами гидроксоний-, гидроксид-ионов и молекулами воды
Юрова И.В./Ермаков А.И./Хоришко Б.А./Иванова О.В.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 5 , published: 22 May 2008
Комплексы эрбия и иттербия с октаэтилтетрапиразинопорфиразином
Лебедева Т.А./Кулинич В.П./Смирнова А.А./и др.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 5 , published: 22 May 2008
Molecular electrostatic potentials of divalent carbon(0) compounds
Deshmukh Milind M./Gadre Shridhar R./Tonner Ralf/Frenking Gernot
Phys. Chem. Chem. Phys., Vol: 10, No: 17 , published: 22 May 2008
Взаимодействие аллил-N-фенилкарбамата с N-оксидами бензазепина
Ковалев В.Б./Великородов А.В.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 5 , published: 22 May 2008
Experimental and theoretical study of the electronic spectrum of BeAl
Merritt Jeremy M./Bondybey Vladimir E./Heaven Michael C.
Phys. Chem. Chem. Phys., Vol: 10, No: 35 , published: 20 May 2008
Choosing a proper complete active space in calculations for transition metal dimers: ground state of Mn2 revisited
Camacho Cristopher/Yamamoto Shigeyoshi/Witek Henryk A.
Phys. Chem. Chem. Phys., Vol: 10, No: 33 , published: 20 May 2008
Lowest quartet states of Li2A (A=Na, K, Rb, Cs)
Pavel Soldán
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 5 , published: 20 May 2008
Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states
Arnim Hellweg, Sarah A. Grün and Christof Hättig
Phys. Chem. Chem. Phys., Vol: 10, No: 28 , published: 20 May 2008
Conformational flexibility of metalloporphyrins studied by density-functional calculations
Thorsten Wölfle, Andreas Görling and Wolfgang Hieringer
Phys. Chem. Chem. Phys., Vol: 10, No: 37 , published: 20 May 2008
Theoretical study on oligothiophene N-succinimidyl esters: size and push-pull effects
Piacenza M./Zambianchi M./Barbarella G./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 35 , published: 20 May 2008
The structure and spectra of organic peroxy radicals
Sharp Erin N./Rupper Patrick/Miller Terry A.
Phys. Chem. Chem. Phys., Vol: 10, No: 27 , published: 20 May 2008
Density functional studies of model cerium oxide nanoparticles
Loschen Christoph/Migani Annapaola/Bromley Stefan T./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 37 , published: 20 May 2008
SACM/CT Study of the dissociation/recombination dynamics of hydrogen peroxide on an ab initio potential energy surface
Part II. Specific rate constants k(E,J), thermal rate constants k(T), and lifetime distributions
Troe J./Ushakov V.G.
Phys. Chem. Chem. Phys., Vol: 10, No: 26 , published: 20 May 2008
Spin-orbit configuration interaction study of the ultraviolet photofragmentation of XeH+
Alekseyev Aleksey B./Liebermann Heinz-Peter/Buenker Robert J.
Phys. Chem. Chem. Phys., Vol: 10, No: 37 , published: 20 May 2008
Structural and spectroscopic study of the excited electronic states of silver dihalides by quantum chemical methods
Mishra Sabyashachi
Phys. Chem. Chem. Phys., Vol: 10, No: 27 , published: 20 May 2008
A DFT study of EPR parameters in Cu(II) complexes of the octarepeat region of the prion protein
Bruschi Maurizio/De Gioia Luca/Mitric Roland/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 31 , published: 20 May 2008
Deuteron quadrupole coupling in benzene: librational corrections using a temperature-dependent Einstein model, and summary. The symmetries of electric field gradients and conditions for η = 1
Pekka Pyykkö and Fatemeh Elmi
Phys. Chem. Chem. Phys., Vol: 10, No: 26 , published: 20 May 2008
A dramatic difference between the electron-driven dissociation of alcohols and ethers and its relation to Rydberg states
Ibanescu Bogdan C./Allan Michael
Phys. Chem. Chem. Phys., Vol: 10, No: 34 , published: 20 May 2008
A theoretical study of the ground state and lowest excited states of PuO0/+/+2 and PuO20/+/+2
La Macchia Giovanni/Infante Ivan/Raab Juraj/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 48 , published: 19 May 2008
A combined ab initio and Franck–Condon factor simulation study on the photodetachment spectrum of HfO2
Mok Daniel K.W./Lee Edmond P.F./Chau Foo-tim/Dyke John M.
Phys. Chem. Chem. Phys., Vol: 10, No: 48 , published: 19 May 2008
The measurable heat flux that accompanies active transport by Ca2+-ATPase
Bedeaxu Dick/Kjelstrup Signe
Phys. Chem. Chem. Phys., Vol: 10, No: 48 , published: 19 May 2008
Dissociations of copper(II)-containing complexes of aromatic amino acids: radical cations of tryptophan, tyrosine, and phenylalanine
Siu Chi-Kit/Ke Yuyong/Guo Yuzhu/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 38 , published: 19 May 2008
Effecient symmetry-based homonuclear dipolar recoupling of quadrupolar spins: double-quantum NMR coorelations in amorphous solids
Lo Andy Y.H./Eden Mattias
Phys. Chem. Chem. Phys., Vol: 10, No: 44 , published: 19 May 2008
Metal-to-ligand and ligand-to-metal charge transfer in thin films of Prussian blue analogues investigated by X-ray absorption spectroscopy
Bonhommeau S./Pontius N./Cobo S./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 38 , published: 19 May 2008
Совместный анализ данных PFOODR-спектроскопии по состояниям a{3}_S[u]{+}, 2{3}_P[g], 2{3}_S[g]{+}, 3{3}_P[g] и 4{3}_S[g]{+} молекулы K[2]
Совков В.Б.\Иванов В.С.\Li D.\и др.
Оптика и спектроскопия, Vol: 103, No: 5 , published: 15 May 2008
Особенности двухфотонного поглощения катионных симметричных полиметиновых красителей
Светличный В.А.\Базыль О.К.\Артюхов В.Я.\и др.
Оптика и спектроскопия, Vol: 103, No: 5 , published: 15 May 2008
Внутри- и межмолекулярные взаимодействия в ряду ациклических и макроциклических соединений, содержащих нуклеотидные основания и их производные
Семенов В.Э.\Чернова А.В.\Шагидуллин Р.Р.\и др.
Ж. общ. химии, Vol: 77, No: 9 , published: 15 May 2008
Нуклеофильное замещение в 4-бром-5-нитрофталодинитриле. ~V~I~I~I. Синтез 4-(1-бензотриазолил)-5-_(4-(1-метил-1-фенилэтил)фенокси_)фталодинитрила и фталоцианинов на его основе
Знойко С.А.\Майзлин В.Е.\Шапошников Г.П.\и др.
Ж. общ. химии, Vol: 77, No: 9 , published: 15 May 2008
Координационные соединения валератов и бензоатов 3d-металлов с никотинамидом
Кокшарова Т.В.\Гриценко И.С.\Стоянова И.В.
Ж. общ. химии, Vol: 77, No: 9 , published: 15 May 2008
Экспериментальное и квантовохимическое исследование молекул 3-пиридин-7-гидрокси-2 иминокумарина и 3-(2-метилтиазол)-7-гидрокси-2-иминокумарина
Самсонова Л.Г.\Селиванов Н.И.\Гадиров Р.М.\и др.
Ж. структур. химии, Vol: 48, No: 4 , published: 15 May 2008
Термохимическое исследование газообразных солей кислородсодержащих кислот. ~X~X~I. Полимеры фосфатов лития, калия и цезия
Шугуров С.М.\Лопатин С.И.\Гунина А.О.
Ж. общ. химии, Vol: 77, No: 9 , published: 15 May 2008
Спектроскопическое вычисление энергии диссоциации связей CH в ряде хлорпроизводных этена, пропена и бензола
Грибов Л.А.\Новаков И.А.\Павлючко А.И.\Васильев Е.В.
Ж. структур. химии, Vol: 48, No: 4 , published: 15 May 2008
Спектроскопическое вычисление энергий диссоциации связей CH и OH в альдегидах, кетонах, кислотах и спиртах
Грибов Л.А.\Новаков И.А.\Павлючко А.И.\Шумовский О.Ю.
Ж. структур. химии, Vol: 48, No: 4 , published: 15 May 2008
Внутримолекулярное электронное взаимодействие в ряду соединений фосфора
Суворов Б.А.
Ж. общ. химии, Vol: 77, No: 9 , published: 15 May 2008
Обнаружение магнитной связи ядер жидкого {3}He с ядрами кристаллического порошка PrF[3]
Егоров А.В.\Ирисов Д.С.\Клочков А.В.\и др.
Письма в ЖЭТФ, Vol: 86, No: 5-6 , published: 15 May 2008
Characterization of a shallow-bound 0+ valence state of I2 using emission from the D 0u+ (3P2) and F" 0u+ (1D2) ion-pair states populated by amplified spontaneous emission
Ridley Trevor\Lawley Kenneth P.\Donovan Robert J.\Alekseev Vadim A.
Phys. Chem. Chem. Phys., Vol: 9, No: 44 , published: 14 May 2008
The Σ states of the molecular hydrogen
Komasa Jacek
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
A coupled cluster study of the electronic spectroscopy and photochemistry of Cr(CO)6
Villaume Sebastien\Strich Alain\Daniel Chantal\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 46 , published: 14 May 2008
Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanls and analysis of errors and basis-set requirements
Sebastian Höfener, Florian A. Bischoff, Andreas Glöß and Wim Klopper
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Influence of the d orbital occupation on the nature and strength of copper cation-πinteractions: threshold collision-induced dissocation and theoretical studies
Ruan Chunhai\Yang Zhibo\Rodgers M.T.
Phys. Chem. Chem. Phys., Vol: 9, No: 44 , published: 14 May 2008
Performance of spin-component-scaled Moller-Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions
Takatani Tait\Sherrill C. David
Phys. Chem. Chem. Phys., Vol: 9, No: 46 , published: 14 May 2008
Nature and physical origin of CH/π interaction: significant difference from conventional hydrogen bonds
Tsuzuki Seiji/Fujii Asuka
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
Intermolecular π-π interactions in solids
Rubes Miroslav/Bludsky Ota
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
A QM/MM study of fluoroaromatic interactions at the binding site of carbonic anhydrase II, using a DFT method corrected for dispersive interactions
Morgado Claudio A./Hillier Ian H./Burton Neil A./McDouall Joseph J.W.
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
The interaction of carbohydrates and amino acids with aromatic systems studied by density functional and semi-empirical molecular orbital calculations with dispersion corrections
Sharma Raman/McNamara Jonathan P./Raju Rajesh K./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes
Goll Erich/Leininger Thierry/Manby Frederick R./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Vanadium oxide compounds with quantum Monte Carlo
Annika Bande and Arne Lüchow
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
On the position of the potential wall in DFT temporary anion calculations
Sablon Nick\De Proft Frank\Geerlings Paul\Tozer David J.
Phys. Chem. Chem. Phys., Vol: 9, No: 44 , published: 14 May 2008
Oxygen-17 hyperfine structures in the pure rotational spectra of SrO, SnO, BaO, HfO and ThO
Dewberry Christopher T.\Etchison Kerry C.\Grubbs Garry S. (II)\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 44 , published: 14 May 2008
Structures and electronic properties of C56Cl8 and C56Cl10 fullerene compounds
Chen De-Li\Tian Wei Quan\Feng Ji-Kang\Sun Chia-Chung
ChemPhysChem., Vol: 8, No: 16 , published: 13 May 2008
Theory and computation of nuclear magnetic resonance parameters
Vaara Juha
Phys. Chem. Chem. Phys., Vol: 9, No: 40 , published: 13 May 2008
High resolution FTIR and diode laser supersonic jet spectroscopy of the N=2 HF stretching polyad in (HF)[2] and (HFDF): hydrogen bond switching and predissociation dynamics
He Yabai\Müller Holger B.\Quack Martin\Suhm Martin A.
 

Z. phys. Chem., Vol: 221, No: 11-12 , published: 13 May 2008
Effect of Coriolis coupling in chemical reaction dynamics
Chu Tian-Shu/Han Ke-Li
Phys. Chem. Chem. Phys., Vol: 10, No: 18 , published: 11 May 2008
Spectroscopic study of the Ne-Xe-NH3 van der Waals trimer
Wen Qing/Jager Wolfgang
Phys. Chem. Chem. Phys., Vol: 10, No: 18 , published: 11 May 2008
Methyloxy substituted heteroleptic bis(phthalocyaninato) yttrium complexes: density functional calculations
Zhang Yuexing/Cai Xue/Qi Dongdong/et al.
ChemPhysChem., Vol: 9, No: 5 , published: 10 May 2008
Ketene thermochemistry
Simmie John M./Metcalfe Wayne K./Curran Henry J.
ChemPhysChem., Vol: 9, No: 5 , published: 10 May 2008
Resonance Raman cross-sections and vibronic analysis of rhodamine 6G from broadband stimulated Raman spectroscopy
Shim Sangdeok/Stuart Christina M./Mathies Richard A.
ChemPhysChem., Vol: 9, No: 5 , published: 10 May 2008
Термодинамическая стабильность иона LaBr[4]
Бутман М.Ф./Кудин Л.С./Моталов В.Б./и др.
Ж. физ. химии, Vol: 82, No: 5 , published: 09 May 2008
Спин-колебательные взаимодействия в геминальных радикальных парах. Эффективный спиновый гамильтониан с учетом ангармонизма
Кубарев С.И./Шигаев А.С./Кубарева И.С./и др.
Хим. физ., Vol: 27, No: 5 , published: 09 May 2008
Structures and magnetism of FeB[N] (N _< 6) clusters
Yang Zhi\Yan Yu-Li\Zhao Wen-Jie\et al.
Acta phys. sin., Vol: 56, No: 6 , published: 07 May 2008
Ground-state structure and magnetisms of Ge[n]Fe (n=1_-8) clusters: the density functional investigations
Zhao Wen-Jie\Yang Zhi\Yan Yu-Li\et al.
Acta phys. sin., Vol: 56, No: 6 , published: 07 May 2008
Synthesis, characterization, and photophysics of a new trinuclear mercury(~I~I) complex of 1,3,5-triethynylbenzene
Liu Li\Wong Wai-Yeung\Ho Cheuk-Lam
Austral. J. Chem., Vol: 59, No: 7 , published: 06 May 2008
A fulleropyrrolidine end-capped platinum-acetylide triad: the mechanism of photoinduced charge transfer in organometallic photovoltaic cells
Guo Fengqi\Ogawa Katsu\Kim Young-Gi\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 21 , published: 06 May 2008
Determination of the anomeric configurations of 2,3,4,6-tetra-O-acetyl-D-mannopyranosyl azide
Cosgrove Kelly L.\Bernhardt Paul V.\Ross Benjamin P.\McGeary Ross P.
Austral. J. Chem., Vol: 59, No: 7 , published: 06 May 2008
Спектральные проявления деформированных форм Pd-порфина при гелиевых температурах: влияние матрицы
Старухин А.С.\Крук Н.Н.
Оптика и спектроскопия, Vol: 103, No: 2 , published: 04 May 2008
Synthesis and spectroscopic properties of low-symmetry tribenzoorphyrazines with annulated 6H-1,4-diazepine ring
Donzello Maria Pia/Ercolani Clauido/Mannina Luisa/et al.
Austral. J. Chem., Vol: 61, No: 4 , published: 27 April 2008
Гексакоординированные атомы углерода и азота в протяженных борорганических каркасных структурах
Миняев Р.М.\Стариков А.Г.\Авакян В.Е.\Минкин В.И.
Докл. РАН, Vol: 416, No: 4 , published: 25 April 2008
Квантово-химическое исследование аза-производных (E)-1-стирилнафталина в основном и низшем электронно-возбужденном состояниях
Будыка М.Ф.\Ошкин И.В.
Химия высок. энергий, Vol: 41, No: 6 , published: 25 April 2008
Спектры ЯМР метакрилатов с различными полярными группами и эфиров итаконовой и малеиновой кислот
Плиев Т.Н.\Карпов О.Н.
Изв. вузов. Химия и хим. технол., Vol: 49, No: 12 , published: 25 April 2008
Ab initio study of structure and stability of M[2]Al[2] (M=Cu, Ag, and Au) clusters
Liu FengLi\Zhao YongFang\Li XinYing\Hao FengYou
Austral. J. Chem., Vol: 60, No: 3 , published: 24 April 2008
A high-resolution infrared spectroscopic investigation of the halogen atom-HCN entrance channel complexes solvated in superfluid helium droplets
Merritt Jeremy M.\K~:upper Jochen\Miller Roger E.
Phys. Chem. Chem. Phys., Vol: 9, No: 3 , published: 24 April 2008
Окисление (E)-3-арил-2-(тиазол-2-ил)акрилонитрилов по Радзишевскому: удобный диастереоселективный метод синтеза (2S,3S)-3-арил-2-(тиазол-2-ил)оксиран-2-карбоксамидов
Доценко В.В.\Криволыско С.Г.\Литвинов В.П.\Гутов А.В.
Докл. РАН, Vol: 412, No: 4 , published: 24 April 2008
Using XANES to monitor the oxidation state of cobalt complexes
Hall Matthew D.\Underwood Clare K.\Failes Timothy W.\et al.
Austral. J. Chem., Vol: 60, No: 3 , published: 24 April 2008
A helmeted dialkylsilylene
Kira Mitsuo\Iwamoto Takeaki\Ishida Shintaro
Bull. Chem. Soc. Jpn., Vol: 80, No: 2 , published: 22 April 2008
Semiclassical variational calculation of energy levels of He@C[70]
Lee-Dadswell G.R.\Gray C.G.
Can. J. Phys., Vol: 84, No: 2 , published: 22 April 2008
Using first principles calculations to identify new destabilized metal hydride reactions for reversible hydrogen storage
Alapati Sudhakar V.\Johnson J. Karl\Sholl David S.
Phys. Chem. Chem. Phys., Vol: 9, No: 12 , published: 22 April 2008
Spin-orbit ab initio investigation of the ultraviolet photolysis of diiodomethane
Liu Ya-Jun\De Vico Luca\Lindh Roland\Fang Wei-Hai
ChemPhysChem., Vol: 8, No: 6 , published: 22 April 2008
Laser produced spectrum of B {2}_S{+} _- X {2}_S{+} and B {2}_S{+} _- A {2}_P, systems of SiN molecule
Ojha K.S.\Gopal R.
Indian J. Phys., Vol: 80, No: 8 , published: 21 April 2008
_b,_b-Динитростиролы: особенности синтеза и строения
Беретовицкая В.М.\Паболкова Е.А.\Беляков А.В.\Трухин Е.В.
Ж. общ. химии, Vol: 77, No: 11 , published: 21 April 2008
мезо-Октилзамещенные тетрабензоазапорфины и их цинковые комплексы. Синтез и спектральные свойства
Галанин Н.Е.\Шапошников Г.П.
Ж. общ. химии, Vol: 77, No: 11 , published: 21 April 2008
Региоселективное бромирование тетрафенилтетрабензопорфирината палладия. Синтез нового октабромида ряда тетрафенилтетрабензопорфиринов
Хорошутин А.В.\Чумаков Д.Э.\Анисимов А.В.\Кобраков К.И.
Ж. общ. химии, Vol: 77, No: 11 , published: 21 April 2008
Синтез, спектральные и комплексообразующие свойства полиэтиленоксидзамещенных 5,15-дифенилпорфиринов
Мамардашвили Г.М.\Куликова О.М.\Мамардашвили Н.Ж.\Койфман О.И.
Ж. общ. химии, Vol: 77, No: 11 , published: 21 April 2008
Квантовохимические DFT-расчеты молекулярной структуры N[2]O[5] в газовой и твердой фазах
Захаров И.И.\Колбасин А.И.\Захарова О.И.\и др.
Теор. и эксперим. химия, Vol: 43, No: 1 , published: 21 April 2008
A computational characterization of the hydrogen-bonding and stacking interactions of hypoxanthine
Rutledge Lesley R.\Wheaton Craig A.\Wetomre Stacey D.
Phys. Chem. Chem. Phys., Vol: 9, No: 4 , published: 21 April 2008
Fragmentation method combined with quantum Monte Carlo caclulations
Maezono Ryo\Watanabe Hirofumi\Tanaka Shigenori\et al.
J. Phys. Soc. Jpn., Vol: 76, No: 6 , published: 21 April 2008
Газообразные соли кислоросодержащих кислот: термическая устойчивость, строение и термодинамические свойства
Лопатин С.И.
Ж. общ. химии, Vol: 77, No: 11 , published: 21 April 2008
Квантовохимическое исследование донорно-акцепторных свойств карбоновых кислот и их анионов и оценка влияния этих свойств на геометрические и спектроскопические параметры карбоксилатов палладия(~I~I)
Монахов К.Ю.\Стромнова Т.А.
Ж. общ. химии, Vol: 77, No: 11 , published: 21 April 2008
Квантовохимическое исследование процессов циклизации бис(3-тиоксо-1-пропенил)сульфида в основном и возбужденном состояниях
Шагун В.А.\Смирнов В.И.\Тимохина Л.В.
Ж. общ. химии, Vol: 77, No: 11 , published: 21 April 2008
Квантово-химический и аддитивно-групповой расчет энтальпий образования гидроксиламинов и оксимов
Шайхлисламов Д.С.\Талипов М.Р.\Хурсан С.Л.
Ж. физ. химии, Vol: 81, No: 2 , published: 21 April 2008
Структурная организация жидких низкомолекулярных эпоксидных олигомеров
Киселев М.Р.\Бардышев И.И.
Ж. физ. химии, Vol: 81, No: 2 , published: 21 April 2008
X-ray analysis of excited-state molecular structure of _(AuCl(PPh[3])[2]_)
Hoshino Manabu\Uekusa Hidehiro\Ohashi Yuji
Bull. Chem. Soc. Jpn., Vol: 79, No: 9 , published: 21 April 2008
Experimental and quantum-chemical determination of the 2H quadrupole coupling tensor in deuterated benzenes
Kantola Anu M.\Ahola Susanna\Vaara Juha\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 4 , published: 21 April 2008
Двуядерные полиненасыщенные кремнеорганические дендримеры
Жилицкая Л.В.\Ярош Н.К.\Истомина Е.Е.\и др.
Ж. общ. химии, Vol: 77, No: 11 , published: 21 April 2008
Vinylidene dissociation following the Auger-electron decay of inner-shell ionized acetylene
R. Flammini, E. Fainelli, F. Maracci, and L. Avaldi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 4 , published: 17 April 2008
Синтез оснований Шиффа на основе дитерпеноида изостевиола
Милицина О.И.\Стробыкина И.Ю.\Ковыляева Г.И.\и др.
Ж. общ. химии, Vol: 77, No: 2 , published: 14 April 2008
Моделирование колебательной структуры вибронного спектра и возбужденного состояния динафтилэтилена
Баранов В.И.\Соловьев А.Н.
Оптика и спектроскопия, Vol: 102, No: 4 , published: 14 April 2008
Эффект Реннера_-Темлера в первичных стадиях термических превращений ацетилена
Билера И.В.\Борисов Ю.А.\Буравцев Н.Н.\Колбановский Ю.А.
Хим. физ., Vol: 26, No: 3 , published: 14 April 2008
Photochromic organoboron-based dithienylcyclopentene modulated by fluoride and mercuric(II) oions
Zhou Zhiguo\Yang Hong\Shi Mei\et al.
ChemPhysChem., Vol: 8, No: 9 , published: 13 April 2008
Rotational spectrum of a chiral α-hydroxyester: conformation stability and internal rotation barrier heights of methyl lactate
Borho Nicole\Xu Yunjie
Phys. Chem. Chem. Phys., Vol: 9, No: 11 , published: 13 April 2008
Molecular distortion effect on ff-emission in a Pr(III) complex with 4.7-diphenyl-1,10-phenanthroline
Ishii Ayumi\Kishi Shinobu\Ohtsu Hideki\et al.
ChemPhysChem., Vol: 8, No: 9 , published: 13 April 2008
On the nature of the surprisingly small (red) shift in the halothane–––xacetone complex
Pluhackova Kristyna\Hobza Pavel
ChemPhysChem., Vol: 8, No: 9 , published: 13 April 2008
Синтез дибензтиазепинонов на основе орто-нитрогалогенбензолов через перегруппировку Смайлса, предшествующую реакции денитроциклизации
Каландадзе Л.С.\Смирнов А.В.\Дорогов М.В.
Изв. вузов. Химия и хим. технол., Vol: 50, No: 8 , published: 13 April 2008
Оптические свойства индотрикарбоцининового красителя как ограничителя мощности лазерного излучения
Светличный В.А.\Самцов М.П.\Базыль О.К.\и др.
Ж. прикл. спектроскопии, Vol: 74, No: 4 , published: 11 April 2008
Oxidation and reacitivty of nitrogen- and phosphorus-doped heterofullerenes
Ewels Christopher P./El Cheikh Hussam/Suarez-Martinez Irene/Van Lier Gregory
Phys. Chem. Chem. Phys., Vol: 10, No: 16 , published: 11 April 2008
OMx-D: semiempirical methods with orthogonalization and dispersion corrections. Implementation and biochemical application
Tuttle Tell/Thiel Walter
Phys. Chem. Chem. Phys., Vol: 10, No: 16 , published: 11 April 2008
Effects of molecular conformation on inner-shell ionization energies
Thomas T.D.\Sahre L.J.\Borve K.J.
Phys. Chem. Chem. Phys., Vol: 9, No: 6 , published: 11 April 2008
Кластерная температура. Методы ее измерения и стабилизации
Макаров Г.Н.
Успехи физ. наук, Vol: 178, No: 4 , published: 11 April 2008
Pure rotational spectra of PbSe and PbTe: potential function, Born-Oppenheimer breakdown, field shift effect and magnetic shielding
Giuliano Barbara M./Bizzocchi Luca/Cooke Stephen/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 15 , published: 11 April 2008
Определение факторизованной атомной части сечения рентгеновского поглощения в околопороговой области спектра. Приложение к анализу структурных изменений в Beta-цеолите при увеличении содержания алюминия
Бугаев Л.А.\Латоха Я.В.\Авакян Л.А.\Файн Е.Я.
Оптика и спектроскопия, Vol: 102, No: 6 , published: 11 April 2008
Resonant double Auger decay in carbon K-shell excitation of CO
L. Journel, R. Guillemin, A. Haouas, P. Lablanquie, F. Penent, J. Palaudoux, L. Andric, M. Simon, D. Céolin, T. Kaneyasu, J. Viefhaus, M. Braune, W. B. Li, C. Elkharrat, F. Catoire, J.-C. Houver, and D. Dowek
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 4 , published: 11 April 2008
Investigation of analytic potential energy function, harmonic frequency and vibrational levels for the 2 {3}_S[g]{+} state of spin-aligned dimer {7}Li[2]
Shi Den-Heng\Sun Jin-Feng\Ma Heng\Zhu Zun-Lue
Acta phys. sin., Vol: 56, No: 4 , published: 10 April 2008
Adiabatic and non-adiabatic corrections to rovibrational energies of diatomic molecules: variational calculations with experimental accuracy
Rey M.\Tyuterev Vl.G.
Phys. Chem. Chem. Phys., Vol: 9, No: 20 , published: 10 April 2008
Reliable structures and energetics for two new delocalized π...π prototypes: cyanogen dimer and diacetylene dimer
Hopkins Brian W.\ElSohly Adel M.\Tschumper Gregory S.
Phys. Chem. Chem. Phys., Vol: 9, No: 13 , published: 10 April 2008
Optical absorption spectra of Na[5], Na[6] and Na[7] clusters: a theoretical study
Zhang Yan-Ping\Zhang Feng-Shou\Meng Ke-Lai\Xiao Guo-Qing
Acta phys. sin., Vol: 56, No: 4 , published: 10 April 2008
Electronic coupling in the excited electronic state of stacked DNA base homodimers
Ritze Hans-Hermann\Hobza Pavel\Nachitagllova Dana
Phys. Chem. Chem. Phys., Vol: 9, No: 14 , published: 10 April 2008
Dissymetry effects on the laser spectroscopy of supersonically expanded rare gas/chiral arene heteroclusters
Filippi Antonello\Giardini Anna\Marcantoni Enrico\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 14 , published: 10 April 2008
On the σ,π-energy separation of the aromatic stabilization energy of cyclobutadiene
Hohlneicher Georg\Packschies Lars\Weber Johannes
Phys. Chem. Chem. Phys., Vol: 9, No: 20 , published: 10 April 2008
Effect of Ni(II) and Zn(II) association on the keto-enol tautomerism of thymine in the gas phase
Rincon Elizabeth\Yanez Manuel\Toro-Labbe Alejandro\Mo Otilia
Phys. Chem. Chem. Phys., Vol: 9, No: 20 , published: 10 April 2008
Inner-shell spectroscopy by the Gaussian and augmented plane wave method
Iannuzzi Marcella\Hutter Jurg
Phys. Chem. Chem. Phys., Vol: 9, No: 13 , published: 10 April 2008
Mechanistic studies on the nucleation of zinc sulphide nanoparticles by means of XAFS spectroscopy
Krishnan Venkata/Camozzo Daniele/Armelao Lidia/et al.
Z. phys. Chem., Vol: 222, No: 4 , published: 10 April 2008
Molecular theory of ZEKE spectroscopy
Chao S.D.\Selzle H.L.\Nuesser H.J.\et al.
Z. phys. Chem., Vol: 221, No: 5 , published: 10 April 2008
Ion pair formation of sulfur dioxide in the energy range 14_-20 eV
Kratzat M.\Jochims H.W.\Baumg~:artel H.
Z. phys. Chem., Vol: 221, No: 5 , published: 10 April 2008
Quantum chemical calculations on a selection of iodine-containing species (IO, OIO, INO3, (IO)2, I2O3, I2O4 and I2O5) of importance in the atmosphere
Kaltsoyannis Nikolas/Plane John M.C.
Phys. Chem. Chem. Phys., Vol: 10, No: 13 , published: 09 April 2008
Self-consistent treatment of spin-orbit interactions with efficient Hartree-Fock and density functional methods
Armbruster Markus K./Weigend Florian/Van Wullen Christoph/Klopper Wim
Phys. Chem. Chem. Phys., Vol: 10, No: 13 , published: 09 April 2008
Proposed method for measuring the duration of electron pulses by attosecond streaking
P. Reckenthaeler, M. Centurion, V. S. Yakovlev, M. Lezius, F. Krausz, and E. E. Fill
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 4 , published: 07 April 2008
Теоретическое исследование влияния химической структуры нитроалканов на механизм и кинетику их термического разложения
Киселев В.Г.\Грицан Н.П.
Хим. физ., Vol: 25, No: 10 , published: 05 April 2008
Закон действующих масс для колебательно-неравновесного газа диссоциирующих двухатомных молекул
Осипов А.И.\Уваров А.В.
Хим. физ., Vol: 25, No: 10 , published: 05 April 2008
Nonadiabatic excited-state dynamics of polar π-systems and related model compounds of biological relevance
Barbatti Mario/Ruckenbauer Matthisas/Szymczak Jaroslaw J./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 4 , published: 03 April 2008
The VUV electronic spectroscopy of acetone studied by synchrotron radiation
Nobre M./Fernandes A./Ferreira da Silva F./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 4 , published: 03 April 2008
Conformational and Cs+ complexation properties of norbadione-A. A molecular modeling study
Schurhammer R./Diss R./Spiess B./Wipff G.
Phys. Chem. Chem. Phys., Vol: 10, No: 4 , published: 03 April 2008
Exploring the size dependence of cyclic and acyclic π-systems on cation-π binding
Vijay Dolly/Sastry G. Narahari
Phys. Chem. Chem. Phys., Vol: 10, No: 4 , published: 03 April 2008
Molybdenum magnetic shielding and quadrupolar tensors for a series of molybdate salts. A solid-state 95Mo NMR study
Forgeron Michelle A.M./Wasylishen Roderick E.
Phys. Chem. Chem. Phys., Vol: 10, No: 4 , published: 03 April 2008
Direct observation of the fourth MLCT triplet state in ruthenium(II) tris(2,2"-bipyridine)
Harriman Anthony\Izzet Guillaume
Phys. Chem. Chem. Phys., Vol: 9, No: 8 , published: 01 April 2008
Implications of molecular orbital symmetries and energies for the electron delocalization of inorganic clusters
Corminboeuf Clemence\King R. Bruce\Von Rague Schleyer Paul
ChemPhysChem., Vol: 8, No: 3 , published: 01 April 2008
Luminescent Eu(III) and Gd(III) trisbipyridine cryptates: experimental and theoretical study of the substituent effects
Guillaumont Dominique\Bazin Herv~1e\Benech Jean-Marc\et al.
ChemPhysChem., Vol: 8, No: 3 , published: 01 April 2008
Бифункциональные октазамещенные фталоцианины. Синтез и свойства
Шапошников Г.П.\Майзлиш В.Е.\Кулинич В.П.
Ж. общ. химии, Vol: 77, No: 1 , published: 01 April 2008
Синтез 2-арил-(гетерил)-4H-1,3,4,-оксадиазин-5,6-дионов
Кузьмич Н.Н.\Лалаев Б.Ю.\Яковлев И.П.\и др.
Ж. общ. химии, Vol: 77, No: 6 , published: 01 April 2008
Macrocyclic compounds having sulfide moieties derived from o-terphenyl
Sato Ryu\Hamasaka Go\Yamamoto Tatsuya\et al.
Bull. Chem. Soc. Jpn., Vol: 80, No: 4 , published: 01 April 2008
Conformational analysis of diphenylacetylene under the influence of an external electric field
Li Yanwei\Zhao Jianwei\Yin Xing\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 10 , published: 01 April 2008
Влияние стирильных заместителей, введенных на периферию пиразинопорфиразинового макроцикла, на спектрально-люминесцентные свойства комплексов
Томачинская Л.А.\Третьякова И.Н.
Теор. и эксперим. химия, Vol: 43, No: 2 , published: 01 April 2008
Theoretical magnetic behavior and correct spectroscopic assignment of transition of some cobalt(~I~I~I) complexes
Bayri Ali
Ж. физ. химии, Vol: 80, No: 9 , published: 01 April 2008
Rational syntheses of multinuclear high-spin complexes
Oshio Hiroki\Nihei Masayuki
Bull. Chem. Soc. Jpn., Vol: 80, No: 4 , published: 01 April 2008
Theoretical study of geometries and electronic transition of color-switching molecules: tetra-aza macrocycle and its zinc complexes
Zhu Zhenxia\Takano Keiko\Furuhama Ayako\et al.
Bull. Chem. Soc. Jpn., Vol: 80, No: 4 , published: 01 April 2008
Iridium(~I~I~I) complexes bearing quinoxaline ligands with efficient red luminescence properties
Tani Kazuyasu\Fujii Hiroyuki\Mao Lisheng\et al.
Bull. Chem. Soc. Jpn., Vol: 80, No: 4 , published: 01 April 2008
Безызлучательный перенос энергии как метод изучения самоорганизующихся наноструктур комплексов лантанидов в растворах
Дударь С.С.\Свешникова Е.Б.\Шабля А.В.\Ермолаев В.Л.
Химия высок. энергий, Vol: 41, No: 3 , published: 01 April 2008
The spin coupling in the diiron complex [Fe2(hpdta)(H2O)3Cl]
H~:ubner Olaf\Fink Karin\Klopper Wim
Phys. Chem. Chem. Phys., Vol: 9, No: 16 , published: 01 April 2008
Thermodynamics of the decomposition processes of donor-acceptor complexes MX3 -en-MX3 and MX3-en
Trinh Cong\Timoshkin Alexey Y.\Frenking Gernot
ChemPhysChem., Vol: 8, No: 3 , published: 01 April 2008
Reaction pathways involved in the mechanism of AlIII chelation with caffeic acid: catechol and carboxylic functions competition
Lapouge Christine\Cornard Jean-Paul
ChemPhysChem., Vol: 8, No: 3 , published: 01 April 2008
Micro-hydration of the MgNO3+ cation in the gas phase
Jagoda-Cwiklik Barbara\Jungwirth Pavel\Rulisek Lubomirth\et al.
ChemPhysChem., Vol: 8, No: 11 , published: 01 April 2008
Gas-phase infrared photodissociation spectroscopy of tetravanadiumoxo and oxo-methoxo cluster anions
Feyel Sandra\Schwarz Helmut\Schroder Detlef\et al.
ChemPhysChem., Vol: 8, No: 11 , published: 01 April 2008
Энергия химической связи и пространственно-энергетические принципы гибридизации атомных орбиталей
Кораблев Г.А.\Заиков Г.Е.
Хим. физ., Vol: 25, No: 7 , published: 01 April 2008
Взаимодействие некоторых циклических кетенацеталей с малеиновыми ангидридом и акрилонитрилом
Зайцева В.В.\Тюрина Т.Г.\Фарафонова А.В.\Зайцев С.Ю.
Ж. общ. химии, Vol: 77, No: 6 , published: 01 April 2008
Energetics and structure of the initial stages of nucleation of (SiO2)N species: possible routes to highly symmetrical tetrahedral clusters
Brombley Stefan T.\Illas Francesc
Phys. Chem. Chem. Phys., Vol: 9, No: 9 , published: 01 April 2008
Hydration and stability of nucleic acid bases and base pairs
Kabelac Martin\Hobza Pavel
Phys. Chem. Chem. Phys., Vol: 9, No: 8 , published: 01 April 2008
Reduced dimensionality quantum dynamics of Cl+CH4HCl+CH[3 on an ab initio potential
Banks Simon T.\Clary David C.
Phys. Chem. Chem. Phys., Vol: 9, No: 8 , published: 01 April 2008
Evidence for a C-H...π type weak interaction: 1:1 complex of styrene with acetylene studied by mass selective high-resolution UV spectroscopy and ab initio caluclations
Chervenkov Sotir\Wang Pengqian\Braun Julian E.\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 7 , published: 01 April 2008
Сродство к электрону и эффекты заместителей в анион-радикалах
Егорочкин А.Н.\Кузнецова О.В.\Новикова О.В.
Ж. общ. химии, Vol: 77, No: 1 , published: 01 April 2008
Радиационные характеристики электронно-колебательно-вращательных состояний молекулы водорода. ~I. Вероятности спонтанных переходов I{1}_P[g]{_-}, J{1}_D[g]{_-}_!B{1}_S[u]{+}, C{1}_P[u]{_+} молекул H[2] и D[2]
Асташкевич С.А.\Лавров Б.П.
Хим. физ., Vol: 25, No: 8 , published: 01 April 2008
The Zeeman tuning of the A 6Σ+-X 6Σ+ transition of chromium monohydride
Chen Jinhai\Bakker Joost M.\Peters Achim\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 8 , published: 01 April 2008
Theoretical investigation of the EPR hyperfine coupling constants in amino derivatives
Rogowska Agnieszka\Kuhl Sebastien\Schneider Raphael\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 7 , published: 01 April 2008
Scalar relativistic calculation of hyperfine coupling tensors using the Douglas-Kroll-Hess method with a finite-size nucleus model
Malkin Elena\Malkin Irina\Malkina Olga L.\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 35 , published: 01 April 2008
Синтез и строение фосфорилированных нитроциклогексенов
Берестовицкая В.М.\Анисимова Н.А.\Кужаева А.А.\и др.
Ж. общ. химии, Vol: 77, No: 1 , published: 01 April 2008
Competing through-space and through-bond, intramolecular triplet-energy transfer in a supposedly rigid ruthenium(II) tris(2,2"-bipyridine)-fullerene molecular dyad
Allen Ben D.\Bennsiton Andrew C.\Harriman Anthony\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 35 , published: 01 April 2008
Hyperfine structure of the ground state of para-D2+ by high-resolution Rydberg-state spectroscopy and multichannel quantum defect theory
H. A. Cruse, Ch. Jungen, and F. Merkt
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 4 , published: 01 April 2008
Study on association of substituted benzoic acids and other acids by physical methods. Effect of temperature and structure of acids on association process
Azzouz A.S.P.\Al-Niemi M.M.H.
Z. phys. Chem., Vol: 219, No: 12 , published: 31 March 2008
Computational studies of the cationic aluminium(chloro) hydroxides by quantum chemical ab initio methods
Saukkoriipi Jaakko\Sillanp~:a~:a Atte\Laasonen Kari
Phys. Chem. Chem. Phys., Vol: 7, No: 22 , published: 31 March 2008
Взаимодействие атомов F и Cl с молекулой N[2] на средних расстояниях между ними
Резников А.И.\Уманский С.Я.\Чайкина Ю.А.
Хим. физ., Vol: 26, No: 7 , published: 31 March 2008
Gas phase electronic spectrum of linear AlCCH
Apetrei Cristina\Ding Hongbin\Maier John P.
Phys. Chem. Chem. Phys., Vol: 9, No: 29 , published: 28 March 2008
Квантовохимическое и корреляционное исследование таутомерии и ионизации хинализарина
Файн В.Я.\Зайцев Б.Е.\Рябов М.А.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Электронные спектры поглощения арилметиленовых, этилиденовых и аллилиденовых производных 3H-фуран-2-она
Егорова А.Ю.\Камнева И.Е.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Тушение флуоресценции и лазерный фотолиз дипирролилбензолов в присутствии хлорметанов
Петрушенко И.К.\Смирнов В.И.\Петрушенко К.Б.\и др.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Влияние пиридина на процесс взаимодействия "перекрытого" цинкопорфирина с органическими пероксидами
Зайцева С.В.\Зданович С.А.\Койфман О.И.
Ж. общ. химии, Vol: 77, No: 7 , published: 28 March 2008
Endohedral clustefullerenes - playing with cluster and cage sizes
Dunsch Lothar\Yang Sahngfeng
Phys. Chem. Chem. Phys., Vol: 9, No: 24 , published: 28 March 2008
мезо-транс-Диарилдигексадецилтетрабензопорфирины и их цинковые комплексы. Синтез и спектральные свойства
Галанин Н.Е.\Якубов Л.А.\Шапошников Г.П.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Синтез и свойства молекулярного комплекса тетрабромтетраазапорфирина с бромом
Чижова Н.В.\Хелевина О.Г.\Березин Б.Д.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Synthesis and spectroscopic characterization of new molecular complexes of bismuth(~I~I~I) chloride with free base meso-tetraarylporphyrins
Dehghani Hossein\Sardrood Ali Reza Ansari
Bull. Chem. Soc. Jpn., Vol: 80, No: 3 , published: 28 March 2008
Synthesis and surface assembly of ruthenium bipyridine complexes
Marin Veronica\Wouters Daan\Hoeppener Stephanie\et al.
Austral. J. Chem., Vol: 60, No: 6 , published: 28 March 2008
Строение молекулы CCl[3]CCl=NCH[2]C[6]H[5] и CCl[3]-реориентации по данным неэмпирических расчетов
Сойфер Г.Б.\Фешин В.П.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Влияние природы противоиона на пространственную и электронную структуру катиона пирилия
Милов А.А.\Стариков А.Г.\Гридин М.К.\Миняев Р.М.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Взаимосвязь физико-химических характеристик основности координационных центров алкилзамещенных дипирролилметенов, биладиенов-a,c и их гетероаналогов
Румянцев Е.В.\Антина Е.В.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Расчеты ab initio комплексов тетрахлоридов элементов группы ~I~VA. ~V~I. Строение и динамика образования комплекса GeCl[4] с тетраметилмочевиной
Фешин В.П.\Фешина Е.В.\Жижина Л.И.
Ж. общ. химии, Vol: 77, No: 7 , published: 28 March 2008
Жидкокристаллические соединения с жестким Т-образным мезогенным фрагментом
Зуев В.В.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Производные дитерпеноида изостевиола с азинным и гидразидным фрагментами
Стробыкина И.Ю.\Гарифуллин Б.Ф.\Ковыляева Г.И.\и др.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Образование производных фурана при Стивенской перегруппировке аммониевых солей, содержащих 4-аллидокси(фенилокси)-2-бутинильную группу
Манукян М.О.\Бабаханян А.В.\Паносян Г.А.\и др.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Взаимодействие триметилсилиловых эфиров кислот трехвалентного фосфора с хлорангидридом 3,5-ди-трет-бутил-4-гидроксибензойной кислоты
Прищенко А.А.\Ливанцов М.В.\Новикова О.П.\и др.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Присоединение триметилсилиловых эфиров кислот трехвалентного фосфора к О,О-диэтил(3,5-ди-трет-бутил-4-гидроксибензоил)фосфонату
Прищенко А.А.\Ливанцов М.В.\Новикова О.П.\и др.
Ж. общ. химии, Vol: 77, No: 8 , published: 28 March 2008
Quantum chemistry-based NMR spin Hamiltonian parameters of GABA for quantitation in magnetic resonance spectroscopy
Allouche A.R.\Aubert-Frecon M.\Graveron-Demilly D.
Phys. Chem. Chem. Phys., Vol: 9, No: 24 , published: 28 March 2008
Quenching and recoupling of echo modulations in NMR spectroscopy
Gopalakrishnan Karthik\Aeby Nicolas\Bodenhausen Geoffrey
ChemPhysChem., Vol: 8, No: 12 , published: 28 March 2008
Зависимость энергий от длин связей в молекулах и кристаллах
Зацанов С.С.
Ж. структур. химии, Vol: 49, No: 2 , published: 26 March 2008
Electron capture by pentafluoronitrobenzene and pentafluorobenzonitrile
Langer Judith/Dabkowska Iwona/Zhang Yan/Illenberger Eugen
Phys. Chem. Chem. Phys., Vol: 10, No: 11 , published: 22 March 2008
Ruthenium(II) complexes of chelating ligands containing benzoxazole and benzothiazole subunits: synthesis, X-ray crystallography, spectroscopy, and electrochemistry
Richardson Chris/Keene F. Richard/Steel Peter J.
Austral. J. Chem., Vol: 61, No: 3 , published: 22 March 2008
Возникновение радикалов в реакции образования реагента Гриньяра в рамках кластерной модели
Порсев В.В./Тулуб А.В.
Докл. РАН, Vol: 419, No: 1 , published: 22 March 2008
Structure and stability of HSNO, the simplest S-nitrosothiol
Timerghazin Qadir K./Peslherbe Gilles H./English Ann M.
Phys. Chem. Chem. Phys., Vol: 10, No: 11 , published: 22 March 2008
LIF studies of iodine oxide chemistry. Pt 3. Reaction IO+NO3→ OIO+NO2, I+NO3→IO+NO2, and CH2I + O 2(products): implications for the chemistry of the marine atmosphere
Dillon Terry J./Tucceri Mar~1ia E./Sander Rolf/Crowley John N.
Phys. Chem. Chem. Phys., Vol: 10, No: 11 , published: 22 March 2008
Дегидрохлорирование 4-гидрокси-3,5-ди-трет-бутилбензилиденхлорида апротонными неионогенными реагентами
Газизов М.Б./Исмагилов Р.К./Каримова Р.Ф./и др.
Докл. РАН, Vol: 419, No: 2 , published: 22 March 2008
Synthesis, structure, and antibacterial activity of novel 5-arylpyrazole derivatives
Liu Xin-Hua/Lv Peng-Cheng/Zhu Hai-Liang/Song Bao-An
Austral. J. Chem., Vol: 61, No: 3 , published: 22 March 2008
Электронное строение и спектрально-флуоресцентные свойства умбеллиферона и герниарина
Низомов Н.\Холов А.У.\Ищенко А.А.\и др.
Ж. прикл. спектроскопии, Vol: 74, No: 5 , published: 21 March 2008
Спектры поглощения, флуоресценции и ГКР сангвинарина при различных pH
Мотевич И.Г.\Стрекаль Н.Д.\Новицкий Я.В.\Маскевич С.А.
Ж. прикл. спектроскопии, Vol: 74, No: 5 , published: 21 March 2008
Oxidative properties of FeO2+: electronic structure and solvation effects
Louwerse Manuel J.\Baerends Evert Jan
Phys. Chem. Chem. Phys., Vol: 9, No: 1 , published: 20 March 2008
Characterization of pericyclic reactions using multicenter electron delocalization analysis
Mandado M.\Gonzalez-Moa M.J.\Mosquera R.A.
ChemPhysChem., Vol: 8, No: 5 , published: 20 March 2008
Моноядерные, полиядерные и кластерные комплексы молибдена и их реакции как модели биохимических систем и процессов
Дементьев И.А.\Козин А.О.\Кондратьев Ю.В.\и др.
Ж. общ. химии, Vol: 77, No: 5 , published: 20 March 2008
NMR measurements of scalar-coupling distributions in disordered solids
Cadars Sylvian\Lesage Anne\Trierweiler Michel\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 1 , published: 20 March 2008
Взаимодействие 2-арил(метил)-5-гидразино-4-циано-1,3-оксазолов с ацилизотиоцианатами
Шаблыкин О.В.\Головченко А.В.\Броварец В.С.\Драч Б.С.
Ж. общ. химии, Vol: 77, No: 5 , published: 20 March 2008
Теоретическое исследование структурных и энергетических параметров молекул NaLaBr[4], LaBr[3] и иона LaBr[4]{_-}
Иванов Д.А./Кудин Л.С./Слизнев В.В./Бутман М.Ф.
Изв. вузов. Химия и хим. технол., Vol: 51, No: 3 , published: 19 March 2008
Изучение реакции тринитрометана с оксиранами
Волкова Ю.А./Иванова О.А./Аверина Е.Б./и др.
Докл. РАН, Vol: 419, No: 4 , published: 19 March 2008
Протоноакцепторные свойства изоциануратозамещенных азагомофуллерена и фуллереноазиридина
Романова И.П./Ларионова О.А./Баландина А.А./и др.
Ж. общ. химии, Vol: 78, No: 3 , published: 17 March 2008
Диаминотиадиазолы. Синтез и свойства
Меленчук Т.В./Данилова Е.А./Стряпан М.Г./Исляйкин М.К.
Ж. общ. химии, Vol: 78, No: 3 , published: 17 March 2008
Синтез и координационные свойства цинкового комплекса димерного порфирина в реакции с имидазолом, 2-метилимидазолом и пиридином в бензоле
Зайцева С.В./Зданович С.А./Семейкин А.С./Койфман О.И.
Ж. общ. химии, Vol: 78, No: 3 , published: 17 March 2008
Таутомерия азациклов. II. Синтез и структура 3-(2-гидроксиэтилсульфанил)-5-R-1H-1,2,4-триазолов и их солей. Пердпочтительность таутомерной формы 1H,4H-1,2,4-триазолий катионов
Бузыкин Б.И./Миронова Е.В./Набуллин В.Н./и др.
Ж. общ. химии, Vol: 78, No: 3 , published: 17 March 2008
Получение и спектроскопия молекул-радикалов PbF и SiF в индуктивно связанной плазме низкого давления
Рябов В.Л./Ежов В.Ф./Карташева М.А./и др.
Оптика и спектроскопия, Vol: 104, No: 3 , published: 16 March 2008
Расчет и интерпретация электронно-колебательных спектров пиридина и транс-1,2-ди(2'-пиридил)этилена во втором приближении параметрического метода
Баранов В.И./Соловьев А.Н.
Оптика и спектроскопия, Vol: 104, No: 3 , published: 16 March 2008
ESR-Vis/NIR spectroelectrochemical study of C70(CF3)2-. and C70(C2F5)2-. radical anions
Popov A.A./Shustova N.B./Boltalina O.V./et al.
ChemPhysChem., Vol: 9, No: 3 , published: 15 March 2008
C68 fullerene isomers, anions, and their metallofullerenes: charge-stabilizing different isomers
Chen D.-L./Tian W.Q./Feng J.-K./Sun C.-C.
ChemPhysChem., Vol: 9, No: 3 , published: 15 March 2008
Electronic excited-state engineering
Armaroli N.
ChemPhysChem., Vol: 9, No: 3 , published: 15 March 2008
Geometric phase effect in the vibrational states of triplet H3+
Luís P. Viegas and António J. C. Varandas
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 11 March 2008
Strong nonmonopole shake transitions in the Br 3d−1nppi (n=6–9) resonant Auger spectra of HBr
R. Püttner, Y. F. Hu, G. M. Bancroft, A. Kivimäki, M. Jurvansuu, H. Aksela, and S. Aksela
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 11 March 2008
Quantum-chemial study of the structure and stability of pseudohalogens: OCN-NCO and its isomers
Pasinszki Tibor
Phys. Chem. Chem. Phys., Vol: 10, No: 10 , published: 10 March 2008
Intramolecular interactions in protonated peptides: H+ PheGlyGly and H+ GlyGlyPhe
Vaden Timothy D./De Boer Tjalling S.J.A./Simons John P./Snoek Lavina C.
Phys. Chem. Chem. Phys., Vol: 10, No: 10 , published: 10 March 2008
ЯКР {35}Cl, {93}Nb, {181}Ta и {121}Sb комплексов Cl[5]M{~V}~xOPCl[3] (M{~V}=Nb, Ta, Sb, P)
Брюхова Е.В./Кузнецов С.И./Бурбело В.М./Семин Г.К.
Ж. физ. химии, Vol: 82, No: 3 , published: 10 March 2008
Ground state of octahedral platinum hexafluoride
Luis Alvarez-Thon, J. David, Ramiro Arratia-Pérez, and Konrad Seppelt
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 07 March 2008
Excited states of thiophene: ring opening as deactivation mechanism
Salzmann Susanne/Kleinschmidt Martin/Tatchen Jorg/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 3 , published: 03 March 2008
Ultrafast dynamics in thiophene investigated by femtosecond pump probe photoelectron spectroscopy and theory
Wiekauf R./Lehr L./Schlag E.W./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 3 , published: 03 March 2008
A combined ab initio and photoionization mass spectrometric study of polyynes in fuel-rich flames
Hansen N./Klippenstein S.J./Westmoreland P.R./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 3 , published: 03 March 2008
Synthesis and research of photochromism based on side-polyimide containing azobenzene group
Qiu Feng-xian\Xu Hong-liang\Yang Dong-ya\et al.
Chin. J. Lasers=Zhongguo jiguang, Vol: 34, No: 4 , published: 02 March 2008
Evidences for a new ultraviolet absorption band of the FSO[3] radical
Cobos C.J.\Croce A.E.
Z. phys. Chem., Vol: 221, No: 7 , published: 02 March 2008
Electronic excitations in a ladder type fluoranthenopyracylene in its neutral and charged states: a theoretical and experimental study
Luke~3s Vladim~1ir\Matuszn~1a Katar~1ina\Rapta Peter\et al.
Z. phys. Chem., Vol: 221, No: 7 , published: 02 March 2008
Fused donor-acceptor ligands in RuII chemistry: synthesis, electrochemistry and spectroscopy of [Ru(bpy)3-n(TTF-dppz)](PF[6]n )2
Goze Christine\Leiggener Claudia\Liu Shi-Xia\et al.
ChemPhysChem., Vol: 8, No: 10 , published: 02 March 2008
Geometry dependence of spin-spin couplings in cyanamide by DFT analysis
Van Mourik Tanja\Dingley Andrew J.
ChemPhysChem., Vol: 8, No: 2 , published: 02 March 2008
Highly effective quenching of the ultrafast radiationless decay of photoexcited pyrimidine bases by covalent modification: photophysics of 5,6-trimethylenecytosine and 5,6-trimethyleneuracil
Zgierski Marek Z.\Fujiwara Takashige\Kofron William G.\Lim Edward C.
Phys. Chem. Chem. Phys., Vol: 9, No: 25 , published: 02 March 2008
Fluorescence quenching in cyclic hydrogen-bonded complexes of 1H-pyrrolo[3,2-h]quinoline with methanol: cluster size effect
Nosenko Yevgeniy\Kyrychenko Alexander\Thummel Randolph\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 25 , published: 02 March 2008
The structure and potential energy function of B[2]C({1}A[1]) and BC[2]({2}A_")
Liu Yu-Fang\Han Xiao-Qing\L~:u Guang-Shen\Sun Jin-Feng
Acta phys. sin., Vol: 56, No: 8 , published: 01 March 2008
Multi-reference configuration interaction study on analytical potential energy function and spectroscopic constants of XO{n} (X=S, Cl; n=0; _+1)
Qian Qi\Yang Chuan-Lu\Gao Feng\Zhang Xiao-Yan
Acta phys. sin., Vol: 56, No: 8 , published: 01 March 2008
Synthesis and relative stereochemistry of the A- and F-rings of goniodomin A
Fujiwara Kenshu\Naka Jota\Katagiri Takahiro\et al.
Bull. Chem. Soc. Jpn., Vol: 80, No: 6 , published: 01 March 2008
Approaches to the potential chirality of bisguanidinobenzenes by dynamic NMR analysis
Nakanishi Waka\Ishikawa Tsutomu\Margeti~1c Davor
Bull. Chem. Soc. Jpn., Vol: 80, No: 6 , published: 01 March 2008
A new type of carbonylation of styrenes catalyzed by Pd(OAc)[2] combined with molybdovanadophosphate
Yamada Shingo\Obora Yasushi\Sakaguchi Satoshi\Ishii Yasutaka
Bull. Chem. Soc. Jpn., Vol: 80, No: 6 , published: 01 March 2008
An entry to the synthesis of novel nitrogen macroheterocycles
Banerji Avijit\Bandyopadhyay Debasish\Basak Bidyut\et al.
Bull. Chem. Soc. Jpn., Vol: 80, No: 6 , published: 01 March 2008
Synthesis and structure of a kinetically stabilized stannanethione
Tajima Tomoyuki\Sasamori Takahiro\Takeda Nobuhiro\Tokitoh Norihiro
Bull. Chem. Soc. Jpn., Vol: 80, No: 6 , published: 01 March 2008
Ab initio study of MXe<sub>n</sub><sup>+</sup> (M=Cu, Ag, and Au; n=1,2)
Li Xin-Ying and Cao xue
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 2 , published: 27 February 2008
Квантово-химический анализ возможной фрагментации комплексов _(M+H){+} и _(M+Na_){+} монозамещенных производных метана, циклогексана и бензола при масс-спектрометрических исследованиях
Чувылкин Н.Д./Нестеров И.Д./Каденцев В.И.
Изв. РАН. Сер. хим., Vol: 2008, No: 2 , published: 24 February 2008
Внутримолекулярная цепная реакция окисления артемизинина
Солодова С.Л./Денисов Е.Т.
Изв. РАН. Сер. хим., Vol: 2008, No: 2 , published: 24 February 2008
Triplet-state aromaticity of 4nπ-electron monocycles: analysis of bifurcation in the π contribution to the electron localization function
Villaume Sebastien/Fogarty Heather A./Ottosson Henrik
ChemPhysChem., Vol: 9, No: 2 , published: 23 February 2008
Singlet and triplet excited states and intersystem crossing in free-base porphyrin: TDDFT and DFT/MRCI study
Perun Serhiy/Tatchen J~:org/Marian Christel M.
ChemPhysChem., Vol: 9, No: 2 , published: 23 February 2008
Sub-Doppler millimetre-wave spectroscopy of DBS and HBS: accurate values of nuclear electric and magnetic hyperfine structure constants
Bizocchi Luca/Esposti Claudio Degli/Dore Luca
Phys. Chem. Chem. Phys., Vol: 10, No: 5 , published: 23 February 2008
Electron spin-lattice and spin-spin relaxation study of a trinuclear iron(III) complex and its relevance in quantum computing
Mitrikas George/Sanakis Yiannis/Raptopoulou Catherine P./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 5 , published: 23 February 2008
Precise dipole moments and quadrupole coupling constants of the cis and trans conformers of 3-aminophenol: determination of the absolute conformation
Filsinger Frank/Wohlfart Kirstin/Schnell Melanie/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 5 , published: 23 February 2008
Квантово-химическое исследование спектрально-люминесцентных свойств фотопродуктов некоторых 8-азастероидов
Базыль О.К./Артюхов В.Я./Майер Г.В.
Оптика и спектроскопия, Vol: 104, No: 2 , published: 16 February 2008
Интерпретация электронных спектров фталоцианинов с переходными металлами на основе квантово-химических расчетов по методу функционала плотности
Маслов В.Г.
Оптика и спектроскопия, Vol: 101, No: 6 , published: 11 February 2008
О возможности интерпретации спектров тетрапиррольных соединений и их ион-радикальных форм на основе квантово-химических расчетов по методу функционала плотности
Маслов В.Г.
Оптика и спектроскопия, Vol: 101, No: 6 , published: 11 February 2008
Об определении невозмущенных уровней энергии и матричных элементов взаимодействия, ведущего к сложному вибронному диалогу резонанса Ферми
Кузьмицкий В.А.
Оптика и спектроскопия, Vol: 101, No: 5 , published: 11 February 2008
Тонкоструктурная спектроскопия 2-метилнафталина, охлажденного в сверхзвуковой струе
Борисевич Н.А.\Дьяченко Г.Г.\Петухов В.А.\Семенов М.А.
Оптика и спектроскопия, Vol: 101, No: 5 , published: 11 February 2008
Photo-induced state conversion mechanism of an optically durable molecular memory with controlled hydrogen bonding. A spin-orbit CI study of [ {Co(2,2' - biimidazole)(C6H4O2)(NH3)2}2]
Mori Hirotoshi/Miysohi Eisaku
Bull. Chem. Soc. Jpn., Vol: 81, No: 2 , published: 11 February 2008
Chiral signatures in angle-resolved valence photoelectron spectroscopy of pure glycidol enantiomers
Garcia Gustavo A./Nahon Laurent/Harding Chris J./Powis Ivan
Phys. Chem. Chem. Phys., Vol: 10, No: 12 , published: 10 February 2008
Особенности строения молекул производных силана и дисилана
Ежов Ю.С.
Ж. физ. химии, Vol: 82, No: 2 , published: 10 February 2008
Quantitative prediction of the absorption maxima of azobenzene dyes from bond length and critical points in the electron density
Buttingsrud Bard\Alsberg Bjorn K.\Astrand Per-Olof
Phys. Chem. Chem. Phys., Vol: 9, No: 18 , published: 09 February 2008
Intermolecular interactions between halothane and dimethyl ether: a cryosolution infrared and ab initio study
Michielsen Bart\Herrebout Wouter A.\Van der Veken Benjamin J.
ChemPhysChem., Vol: 8, No: 8 , published: 09 February 2008
Synthesis and copper(~I) complexation of 3,6-di(2-pyridyl)-pyridazine and 2,2_"-bipyridine ligands functionalized with a dangling iridium(~I~I~I) complex
Marin Veronica\Hoogenboom Richard\Moore Brian\et al.
Austral. J. Chem., Vol: 60, No: 4 , published: 09 February 2008
A combined experimental and computational study on the ionization energies of the cyclic and linear C3H isomers
Kaiser Ralf I.\Belau Leonid\Leone Stephen R.\et al.
ChemPhysChem., Vol: 8, No: 8 , published: 09 February 2008
Ab initio calculations of accurate dissociation energy and analytic potential energy function for the second excited state B {1}_P of {7}LiH
Shi De-Heng\Liu Yu-Fang\Sun Jin-Feng\et al.
Chin. Phys., Vol: 15, No: 12 , published: 04 February 2008
Сольватофлуорохромные свойства 2,7-диметилзамещенного 9-дитолиламиноакридина
Сажников В.А.\Хлебунов А.А.\Алфимов М.В.
Химия высок. энергий, Vol: 41, No: 1 , published: 04 February 2008
Радиационные характеристики электронно-колебательно-вращательных состояний молекулы водорода. ~I~I. Вероятности спонтанных переходов i{3}_P[g], j{3}_D[g]{_-}_!b{3}_S[y]{+}, c{3}_P[u]{_+} молекул H[2], HD и D[2]
Асташкевич С.А.\Лавров Б.П.
Хим. физ., Vol: 26, No: 2 , published: 04 February 2008
Entanglement in the supermolecular dimer _(Mn[4]_)[2]
Xu Chang-Tan\Chen Gang\He Ming-Ming\Liang Jiu-Qing
Chin. Phys., Vol: 15, No: 12 , published: 04 February 2008
The reaction mechanism of p-toluenediamne anodic oxidation: an in situ ESR-UV/Vis/NIR spectroelectrochemical study
Goux Aurelie\Pratt Dominic\Dunsch Lothar
ChemPhysChem., Vol: 8, No: 14 , published: 03 February 2008
Coupled-cluster studies of the lowest excited states of the 11-cis-retinal chromophore
Send Robert\Sundholm Dage
Phys. Chem. Chem. Phys., Vol: 9, No: 22 , published: 03 February 2008
Unusual substituent effects on the bonding of iminoboranes
Mo Otilia\Yanez Manuel\Martin Pendas Angel\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 30 , published: 03 February 2008
Non-resonance-assisted hydrogen bonding in hydroxymethylene and aminomethylene cyclobutanones and cyclobutenones and their nitrogen couterparts
Sanz Pablo\Mo Otilla\Yanez Manuel\Elguero Jose
ChemPhysChem., Vol: 8, No: 13 , published: 03 February 2008
Shock tube study of dissociation and relaxation in 1,1-difluoroethane and vinyl fluoride
Xu Hui\Kiefer John H.\Sivaramakrishnan Raghu\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 31 , published: 03 February 2008
Quantifying hydrogen-bonding strength: the measurement of 2hJNN couplings in self-assembled quanosines by solid-state 15N spin-echo MAS NMR
Pham Tran N.\Griffin John M.\Masiero Stefano\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 26 , published: 03 February 2008
Calculation and analysis of NMR spin-spin coupling constants
Cremer Dieter\Grafenstein Jurgen
Phys. Chem. Chem. Phys., Vol: 9, No: 22 , published: 03 February 2008
Электронные состояния d{0} _p-комплексов ранних переходных металлов и перенос энергии на непредельные углеводороды
Лукова Г.В.\Смирнов В.А.
Химия высок. энергий, Vol: 41, No: 4 , published: 02 February 2008
Теоретическое исследование электронных спектров ароматических нитрозооксидов с учетом природы растворителя
Талипов М.Р.\Рыжков А.Б.\Хурсан Л.С.\Сафиуллин Р.Л.
Ж. структур. химии, Vol: 47, No: 6 , published: 28 January 2008
Моделирование сольватной оболочки комплексов в растворе для квантовохимических расчетов электронных спектров
Сизова О.В.\Сизов В.В.
Ж. структур. химии, Vol: 47, No: 6 , published: 28 January 2008
Квантовохимическое исследование механизма взаимодействия монометилового катиона ртути с 2-меркапто-2-метилтетрагидро-1,4-тиазино)(2,3,3,4-i,j_)хинолиний хлоридом в водной среде
Шагун В.А.\Смирнов В.И.\Шагун Л.Г.
Ж. структур. химии, Vol: 47, No: 6 , published: 28 January 2008
Теоретическое исследование строения димеров (O_!Si)-(ацетоксиметил)трифторсилана
Чипанина Н.Н.\Аксаментова Т.Н.\Воронков М.Г.\Турчанинов В.К.
Ж. структур. химии, Vol: 47, No: 6 , published: 28 January 2008
Квантовохимическое исследование особенностей комплексообразования триметилалюминия с хлорсодержащими растворителями
Вакулин И.В.\Загидуллина А.Э.\Талипов Р.Ф.\Вострикова О.С.
Ж. структур. химии, Vol: 47, No: 6 , published: 28 January 2008
Theoretical spin-orbit structure of the alkali dimer cation K[2]{+}
Jraij A./Allouche A.R./Magnier S./Aubert-Frecon M.
Can. J. Phys., Vol: 86, No: 12 , published: 27 January 2008
Structure and analytic potential energy function for the ground state of SiO[2] molecule
Wu Dong-Lan\Cheng Xin-Lu\Yang Xiang-Dong\et al.
Acta phys. sin., Vol: 56, No: 1 , published: 27 January 2008
Study on the structure and stability of the Al[2]O[3]H[x] (x=1_-3) molecules by density function theory
Chen Xiao-Hong\Gao Tao\Zhu Zheng-He\Luo Shun-Zhong
Acta phys. sin., Vol: 56, No: 1 , published: 27 January 2008
Фрагментный метод расчета харакеристик электронных состояний очень сложных молекул
Грибов Л.А.
Ж. структур. химии, Vol: 49, No: 1 , published: 26 January 2008
Электронная структура и физико-химические свойства кластеров s-элементов
Шпак А.П./Засуха В.А./Трачевский В.В./Урубкова Е.В.
Ж. структур. химии, Vol: 49, No: 1 , published: 26 January 2008
Double excitations and state-to-state transition dipoles in pi-pi* excited singlet states of linear polyenes: Time-dependent density-functional theory versus multiconfigurational methods
Ivan A. Mikhailov, Sergio Tafur, and Artëm E. Masunov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 24 January 2008
Electro-optical parameters of some chlorobenzene derivatives obtained from the molecular orbital calculation
Dimitriu Mihaela/Ivan Liliana-Mihaela/Dorohoi Dand-Ortansa
Rom. J. Phys., Vol: 53, No: 1-2 , published: 24 January 2008
Experimental and theoretical study of the microsolvation of sodium atoms in methanol clusters: differences and similarities to sodium-water and sodium-ammonia
Dauster Ingo/Suhm Martin A./Buck Udo/Zeuch Thomas
Phys. Chem. Chem. Phys., Vol: 10, No: 1 , published: 24 January 2008
Potential energy function of CrH{n} (n=0, +1, +2)
Huang Ping\Zhu Zheng-He
Acta phys. sin., Vol: 55, No: 12 , published: 21 January 2008
Бис(8-хинолилгидразон) 2,6-диформил-4-трет-бутилфенола и его комплексы с переходными металлами: физико-химическое исследование и квантовохимическое моделирование
Попов Л.Д./Левченков С.И./Щербаков И.Н./и др.
Ж. общ. химии, Vol: 78, No: 1 , published: 21 January 2008
Programmable logic controller
Tasu Antonio Sorin
Rom. J. Phys., Vol: 51, No: 1-2 , published: 21 January 2008
Способ учета "эффекта кристалла" в ЯКР на примере (Cl[3]C)[3]SiCl
Семин Г.К.\Раевский А.М.\Кузнецов С.И.\Брюхова Е.В.
Ж. физ. химии, Vol: 81, No: 1 , published: 21 January 2008
О решении секулярных уравнений для полуцелочисленных спинов (I=5/2, 7/2, 9/2) в спектроскопии ЯКР
Семин Г.К.
Ж. физ. химии, Vol: 81, No: 1 , published: 21 January 2008
Molecular mechanics methods for predicting protein-ligand binding
Huang Niu\Kalyanaraman Chakrapani\Bernacki Katarzyna\Jacobson Matthew P.
Phys. Chem. Chem. Phys., Vol: 8, No: 44 , published: 19 January 2008
Catalytic homogeneous hydrogenation of compounds containing X→O semipolar bonds (X=N, S, P) with para-hydrogen as a promising route for preparation of para-water
Ustynyuk Yuri A.\Gavrikov Alexei V.\Sergeyev Nikolay M.
Phys. Chem. Chem. Phys., Vol: 8, No: 44 , published: 19 January 2008
Towards chemical accuracy for the thermodynamics of large molecules: new hybrid density functionals including non-local correlation effects
Schwabe Tobias\Grimme Stefan
Phys. Chem. Chem. Phys., Vol: 8, No: 38 , published: 19 January 2008
Induced hyper-valence of carbon in metal:flurocarbon complexes
Naumkin Fedor Y.
Phys. Chem. Chem. Phys., Vol: 8, No: 38 , published: 19 January 2008
An ab initio investigation of the O(3P)-H2(1Σg+) van der Waals well
Atahan Sule\Kmos Jacek\.Zochowski Piotr S.\Alexander Millard H.
Phys. Chem. Chem. Phys., Vol: 8, No: 38 , published: 19 January 2008
Theoretical study on stabilities of multiple hydrogen bonded dimers
Xu Wei\Li Xi-Chen\Tan Hongwei\Chen Guang-Ju
Phys. Chem. Chem. Phys., Vol: 8, No: 38 , published: 19 January 2008
Intra- vs. intermolecular hydrogen bonding: dimers of alpha-hydroxyesters with methanol
Borho Nicole\Suhm Martin A.\Le Barbu-Debus Katia\Zehnacker Anne
Phys. Chem. Chem. Phys., Vol: 8, No: 38 , published: 19 January 2008
Mass-analyzed threshold ionization spectroscopy of pyridine. Structural distortion in the first excited state
Riese M.\Altug Z.\Grotemeyer J.
Phys. Chem. Chem. Phys., Vol: 8, No: 38 , published: 19 January 2008
Probing the intrinsic features and environmental stabilization of multiply charged anions
Boxford William E.\Dessent Caroline E.H.
Phys. Chem. Chem. Phys., Vol: 8, No: 44 , published: 19 January 2008
Расчеты электронного спектра порфина и его производных модифицированным методом INDO/S
Кузьмицкий В.А./Волкович Д.И.
Ж. прикл. спектроскопии, Vol: 75, No: 1 , published: 17 January 2008
Электронные спектры растворов брассиностероидов и синтезированного конъюгата стероида с флуоресцентной меткой
Борисевич Н.А./Райченок ТФ./Хрипач В.А./и др.
Ж. прикл. спектроскопии, Vol: 75, No: 1 , published: 17 January 2008
Комплексообразование в двухкомпонентных растворах хлортетрациклин_-меланин
Лапина В.А./Першукевич П.П./Донцов А.Е./Бельков М.В.
Ж. прикл. спектроскопии, Vol: 75, No: 1 , published: 17 January 2008
Electronic states of the ultramarine chromophore S[3]{_-}
Linguerri Roberto/Komiha Najia/Fabian J~:urgen/Rosmus Pavel
Z. phys. Chem., Vol: 222, No: 1 , published: 16 January 2008
Ротационно-ридберговские состояния полярных молекул: классификация по Хунду и эффект Зеемана
Данилян А.В./Чернов В.Е.
Оптика и спектроскопия, Vol: 104, No: 1 , published: 15 January 2008
Релаксация функций базисных наборов STO-3G и 6-31G{*} в ряду изоэлектронных LiF молекул элементов второго периода
Ермаков А.И.\Белоусов В.В.
Ж. структур. химии, Vol: 48, No: 1 , published: 14 January 2008
Расчет спектроскопических постоянных для основных электронных состояний молекул CsK, CsLi и RbLi
Смирнов А.Д.
Ж. структур. химии, Vol: 48, No: 1 , published: 14 January 2008
Imaging study of vibrational predissociation of the HCl-acetylene dimer: pair-correlated dsitributions
Li Guosheng\Parr Jessica\Fedorov Igor\Reisler Hanna
Phys. Chem. Chem. Phys., Vol: 8, No: 25 , published: 14 January 2008
Раман-спектры твердых растворов оливина (Fe[x]Mg[1_-x])[2]SiO[4] и спин-колебательное взаимодействие
Гайслер С.В.\Колесов Б.А.
Ж. структур. химии, Vol: 48, No: 1 , published: 14 January 2008
Построение эмпирических МТ-потенциалов молекул: роль сферы Ватсона
Мигаль Ю.Ф.\Холодова О.М.
Ж. структур. химии, Vol: 48, No: 1 , published: 14 January 2008
Photoelectron imaging of propanal by resonant multiphoton ionization via the 3s Rydberg state
Kim Myung Hwa\Shen Lei\Suits Arthur G.
Phys. Chem. Chem. Phys., Vol: 8, No: 25 , published: 14 January 2008
Photoelectron imaging following 2+1 multiphoton excitation of HBr
Romanescu Constantin\Loock Hans-Peter
Phys. Chem. Chem. Phys., Vol: 8, No: 25 , published: 14 January 2008
Vibrational state-dependent predissociation dynamics of ClO (1 2Π3/2): insight from correlated fine structure branching ratios
Kim Hahkjoon\Dooley Kristin S.\Groenenboom Gerrit C.\North Simon W.
Phys. Chem. Chem. Phys., Vol: 8, No: 25 , published: 14 January 2008
Slice imaging of quantum state-to-state photodissociation dynamics of OCS
Lipciuc M. Laura\Janssen Maurice H.M.
Phys. Chem. Chem. Phys., Vol: 8, No: 25 , published: 14 January 2008
Infrared spectroscopic and density functional theory studies on the reactions of zinc and cadmium atoms with ammonia
Jiang Ling\Xu Qiang
Bull. Chem. Soc. Jpn., Vol: 79, No: 10 , published: 13 January 2008
Imperfect surface order and functionalization in vertical carbon nanotube arrays probed by near edge X-ray absorption fine structure spectroscopy (NEXAFS)
Hemraj-Benny Tirandai\Banerjee Sarbajit\Sambasivan Sharadha\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 43 , published: 13 January 2008
Оптические спектры бинарных смесей инертных газов
Герасимов Г.Н.
Успехи физ. наук, Vol: 174, No: 2 , published: 12 January 2008
Синтез амино- и гидроксипроизводных 4,7-фенантролина
Гусак К.Н.\Козлов Н.Г.\Терешко А.Б.
Ж. общ. химии, Vol: 74, No: 5 , published: 12 January 2008
Взаимодействие системы арен(гетарен)тиол-диселенид с фенилацетиленом
Паперная Л.К.\Албанов А.И.\Сухомазова Э.Н.\и др.
Ж. общ. химии, Vol: 74, No: 5 , published: 12 January 2008
Synthesis, crystal structure, and chromotropic porperties of mixedpligand nicke(II) complexes with 1,3-diketonate and P_-N bidentate ligands
Arakawa Machiko/Suzuki Noriyuki/Kishi Shonobu/et al.
Bull. Chem. Soc. Jpn., Vol: 81, No: 1 , published: 11 January 2008
Theoretical study of molecular electronic excitations and optical transitions of C60
A. V. Nikolaev, I. V. Bodrenko, and E. V. Tkalya
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 07 January 2008
Formation of perfluorobutene-2 epoxide in the thermal gas-phase reaction of perfluorobutene-2 with nitrogen dioxide. An experimental and DFT study
Czarnowski J.\Cobos C.J.
Z. phys. Chem., Vol: 220, No: 12 , published: 06 January 2008
The heat of formation of gaseous PuO22+ from relativistic density functional calculations
Moskaleva Lyudmila V.\Matveev Alexei V.\Dengler Joachim\Rosch Notker
Phys. Chem. Chem. Phys., Vol: 8, No: 32 , published: 06 January 2008
Infrared emission spectra and equilibrium bond lengths of gaseous ZnH2 and ZnD2
Shayesteh Alireza\Gordon Iouli E.\Appadoo Dominiaue R.T.\Bernath Peter F.
Phys. Chem. Chem. Phys., Vol: 8, No: 32 , published: 06 January 2008
Функционально-замещенные азот- и фосфорсодержащие соли циклоалкилкарбоновых и карборанкарбоновых кислот
Дикусар Е.А.\Козлов Н.Г.\Зверева Т.Д.\и др.
Ж. общ. химии, Vol: 75, No: 1 , published: 03 January 2008
Исследование азолов и азинов. ~C~X~X~I~I. Новый региоселективный метод синтеза 1-замещенных 6-алкилурацилов
Юсковец В.Н.\Москвин А.В.\Михайлов Л.Е.\Ивин Б.А.
Ж. общ. химии, Vol: 75, No: 1 , published: 03 January 2008
Квантовохимическое исследование механизма реакций тиолов и дисульфидов с диаглогеналканами
Шагун В.А.\Дерягина Э.Н.\Корчевин Н.А.\Руссавская Н.В.
Ж. общ. химии, Vol: 75, No: 1 , published: 03 January 2008
Неэмпирическое квантовохимическое исследование соединений C[6]H[5]S(O)CH[3] и C[6]H[5]S(O)CF[3]
Бжезовский В.М.\Ильченко Н.Н.\Чура М.Б.\и др.
Ж. общ. химии, Vol: 75, No: 1 , published: 03 January 2008
Окислительные аммонолиз диалкилпиридинов
Воробьев П.Б.\Сембаев Д.Х.
Ж. общ. химии, Vol: 75, No: 1 , published: 03 January 2008
Взаимодействие аминоацетиленфосфонатов с первичными аминами
Панарина А.Е.\Александрова А.В.\Догадина А.В.\Ионин Б.И.
Ж. общ. химии, Vol: 75, No: 1 , published: 03 January 2008
Взаимодействие производных малоновой кислоты с ацетилендифосфонатами
Шехаде А.\Дидковский Н.Г.\Догадина А.В.\Ионин Б.И.
Ж. общ. химии, Vol: 75, No: 1 , published: 03 January 2008
Катионные фосфолипиды на основе высших жирных спиртов
Предводителев Д.А.\Маленковская М.А.\Нифантьев Э.Е.
Ж. общ. химии, Vol: 75, No: 1 , published: 03 January 2008
_a,_w-Бис(3,6-диметил-2,4-диоксо-1,2,3,4-тетрагидропиримидин-1-ил)алканы и продукты их циклизации _- пиримидинофаны: внутри- и межмолекулярные взаимодействия в кристаллах и растворах
Семенов В.Э./Лодочникова О.А./Губайдуллин А.Т./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 1 , published: 02 January 2008
Спиропираны и спироксазины. Сообщ. 4. Синтез и спектральные свойства 6'-галогензамещенных спиро_(индолин-2,2'-2H-пирано_(3,2-h_)хинолинов_)
Волошин Н.А./Чернышев А.В./Безуглый С.О./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 1 , published: 02 January 2008
Комплексы _a,_w-бис(3,3-диалкилдиазиридин-1-ил)алканов и их бис(2-арилкарбамоильных) производных с солями кадмия и никеля
Скрупская Т.В./Кислухин А.А./Шевцов А.В./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 1 , published: 02 January 2008
Синтез и строение производных бензо_(cd_)фуро_2,3-f_)индол-4(5H)-онов
Давиденко И.Г./Сломинский Ю.Л./Кальченко О.И./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 1 , published: 02 January 2008
Синтез и превращения 4-амино-4'-(4-нитро-1H-1,2,3-тиразол-1-ил)- и 4-амино-4'-(1,2,3-триазоло_(4,5-c_)-1,2,5-оксадиазол-5-ил)-3,3'-(NNO)-азокси-1,2,5-оксадиазолов
Батог Л.В./Рожков В.Ю./Шатунова Е.В./Стручкова М.И.
Изв. РАН. Сер. хим., Vol: 2008, No: 1 , published: 02 January 2008
Цианамиды в реакциях циклизации с антранилатами, 2-аминофенилкетонами и метил-2-(3-оксопиперазин-2-ил)ацетатом
Шихалиев Х.С./Шестаков А.С./Медведева С.М./Гусакова Н.В.
Изв. РАН. Сер. хим., Vol: 2008, No: 1 , published: 02 January 2008
Синтез и свойства новой конденсированной гетероциклической системы 12H-бензо_(5,6_)_(1,2,4_)триазепино_(3,4-a_)изоиндол-5(6H)-она
Ухин Л.Ю./Кузьмина Л.Г./Грибанова Т.Н./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 1 , published: 02 January 2008
Взаимодействие 3-алкил-2-алкокси-1,3,2-оксазафосфинанов с алкилхлорформиатами
Шипов А.Э./Генкина Г.К./Петровский П.В./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 1 , published: 02 January 2008
Electronic propetties of multifurcated bent hydrogen bonds CH3***Y and CH2***Y
Li An Yong/Yan Xiu Hua
Phys. Chem. Chem. Phys., Vol: 9, No: 47 , published: 30 December 2007
Critical evaluation of mass spectrometric measurement of dissociation constants: accuracy and cross-validation against surface plasmon resonance and circular dichroism for the calmoduli-melittin system
Mathur Sonal/Badertscher Martin/Scott Michael/Zenobi Renato
Phys. Chem. Chem. Phys., Vol: 9, No: 47 , published: 30 December 2007
Application of a new theoretical procedure for calculating Kirkwood correlation factors in alkanol + hexane and alkanol + pentane mixtures
Vasiltsova Tatiana/Heintz Andreas
Phys. Chem. Chem. Phys., Vol: 9, No: 47 , published: 30 December 2007
Hyperfine coupling dependence of the effects of weak magnetic fields on the recombination reactions of radicals generated from polymerisation photoinitiators
Woodward Jonathan R./Vink Claire B.
Phys. Chem. Chem. Phys., Vol: 9, No: 47 , published: 30 December 2007
A high-field solid-state 35/37Cl NMR and quantum chemical investigation of the chlorine quadrupolar and chemical shift tensors in amino acid hydrochlorides
Chapman Rebecca P./Bryce David L.
Phys. Chem. Chem. Phys., Vol: 9, No: 47 , published: 30 December 2007
The mechanism of H-bond rupture: the vibrational pre-dissociation of C2H2-HCl and C2H2-DCl
Pritchard Marisian/Parr Jessica/Li Guosheng/et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 47 , published: 30 December 2007
Излучение ионных молекул (KrXe){+} при возбуждении жестким ионизатором
Хасенов М.У.
Ж. прикл. спектроскопии, Vol: 72, No: 3 , published: 28 December 2007
Квантово-химические расчеты электронно-возбужденных состояний молекулы продана и его комплексов в воде
Артюхов В.Я.\Жаркова О.М.\Морозова Ю.П.
Ж. прикл. спектроскопии, Vol: 72, No: 3 , published: 28 December 2007
Зависимость электронных спектров молекулы хлорина от степени альтернирования длин связей макроцикла
Кузьмицкий В.А.
Ж. прикл. спектроскопии, Vol: 72, No: 3 , published: 28 December 2007
Structure and stability of neutral and cationic Al[n]O clusters
Yang Peng\Ge Jian-Hua\Jiang Zhen-Yi
Chin. Phys., Vol: 16, No: 4 , published: 28 December 2007
Calculation of photon angular distribution and polarization for radiative recombination for high-charged hydrogen-like ions
Shen Tian-Ming\Chen Chong-Yang\Wang Yan-Sen
Chin. Phys., Vol: 16, No: 4 , published: 28 December 2007
Приближенная оценка вклада электронно-колебательного взаимодействия в изотопный эффект на константе магнитного экранирования ядра водородного мостика
Голубев Н.С.\Толстой П.М.\Щепкин Д.Н.
Ж. общ. химии, Vol: 76, No: 8 , published: 23 December 2007
Некоторые особенности проявления изотопного эффекта при структурных превращениях молекул
Грибов Л.А.\Баранов В.И.\Дементьев В.А.
Ж. структур. химии, Vol: 48, No: 3 , published: 23 December 2007
Расщепление атомных d{N} термов в 3a-металлэндофуллеренах M@C[60] икосаэдрической симметрии
Горелик Е.В.\Плахутин Б.Н.
Ж. структур. химии, Vol: 46, No: 5 , published: 23 December 2007
Спектроскопическое вычисление энергии диссоциации связей CH во фторпроизводные метана, этана, этена, пропена и бензола
Грибов Л.А.\Новаков И.А.\Павлючко А.И.\Шумовский О.Ю.
Ж. структур. химии, Vol: 48, No: 3 , published: 23 December 2007
Методология простой квантовохимической оценки твердофазной теплоты образования при постоянстве межмолекулярных взаимодействий в рядах соединений (на примере хинонов)
Панкратов А.Н.
Ж. структур. химии, Vol: 48, No: 3 , published: 23 December 2007
Неэмпирическая оценка условий ионизации воды и аморфного льда
Новаковская Ю.В.\Степанов Н.Ф.
Ж. физ. химии, Vol: 81, No: 6 , published: 23 December 2007
Оценка энергии активации реориентационного движения группы CCl[3] в кристаллах по данным ЯКР-спектроскопии
Кюнцель И.А.\Мокеева В.А.
Ж. физ. химии, Vol: 81, No: 6 , published: 23 December 2007
Расчеты ab inito комплексов тетрахлоридов элементов группы IVA. ~V~I~I~I. Строение и динамика образования комплекса SiCl[4] с гексаметилфосфортриамидом
Фешин В.П./Фешина Е.В.
Ж. общ. химии, Vol: 77, No: 12 , published: 23 December 2007
Метастабильные состояния нитрозокомплексов рутения. Квантовохимические расчеты методом функционала плотности
Сизова О.В.\Любимова О.О.\Сизов В.В.
Ж. общ. химии, Vol: 74, No: 3 , published: 22 December 2007
Проявление вибронного аналога резонанса Ферми в квазилинейчатых спектрах порфиринов: эксперимент и теоретический анализ
Арабей С.М.\Кузьмицкий В.А.\Соловьев К.Н.
Оптика и спектроскопия, Vol: 102, No: 5 , published: 22 December 2007
Исследование азолов и азинов. ~C~X~X~V~I~I. Гликозилирование 5,7-дигидро-4H-пирано_(2,3-d:6,5-d_"_)дипиримидин-4,6(3H)-диона и его 5-фенилзамещенного аналога
Федорова Е.В.\Кваша В.В.\Студенцов Е.П.\и др.
Ж. общ. химии, Vol: 77, No: 4 , published: 16 December 2007
Дегидрирование соединений с ослабленными связями C_-H в присутствии фуллеридов платины и палладия
Бойко Г.Н.\Рощупкина О.С.\Лобач А.С.\Гольдшлегер Н.Ф.
Ж. общ. химии, Vol: 77, No: 4 , published: 16 December 2007
Structure and spectra of the hydrogen bonding complexes formed by 2-pyridone
Yan Chao/Su Ninghai/Wu Shi
Ж. физ. химии, Vol: 81, No: 12 , published: 16 December 2007
Качественный анализ геометрии водородной связи в гомосопряженном ионе пиридина
Шендерович И.Г.
Ж. общ. химии, Vol: 77, No: 4 , published: 16 December 2007
Электронное и пространственное строение молекул ряда Cl[2]ZX (Z=P и As) по результатам расчетов ab initio
Фешин В.П.\Фешина Е.В.\Жижина Л.И.
Ж. общ. химии, Vol: 77, No: 4 , published: 16 December 2007
1,3,2(1,4,2)-Диоксафосфепины, аннелированные с нафталиновым фрагментом: получение и пространственное строение
Бурнаева Л.М.\Миронов В.Ф.\Абдрахманова Л.М.\и др.
Ж. общ. химии, Vol: 77, No: 4 , published: 16 December 2007
Диазореакции с непредельными соединениями. ~X~I~I. Взаимодействие (пара-карбоксифенилсульфонил)-1,3-бутадиена с хлоридами арилдиазония, 1-арил-3,3-диметил-1-триазенами и с тетрахлоркупратами(~I~I) арендиазония
Смалиус В.В.\Найдан В.М.
Ж. общ. химии, Vol: 77, No: 4 , published: 16 December 2007
The molecular structure and analytical potential energy function of HCO (X{2}A_")
Wu Dong-Lan\Cheng Xin-Lu\Yang Xiang-Dong\et al.
Chin. Phys., Vol: 16, No: 5 , published: 10 December 2007
Сравнительный анализ спектров высокого разрешения нафталина и его метилзамещенных, охлажденных в сверхзвуковой струе
Дьяченко Г.Г.\Петухов В.А.\Семенов М.А.
Ж. прикл. спектроскопии, Vol: 74, No: 3 , published: 10 December 2007
Влияние мостикового азазамещения на электронную структуру и спектрально-люминесцентные свойства NH-изомеров изобактериохлорина
Волкович Д.И.\Кузьмицкий В.А.\Макарова Е.А.\и др.
Ж. прикл. спектроскопии, Vol: 74, No: 3 , published: 10 December 2007
A hollow tetrahedral cage of hexadecagold dianion provides a robust backbone for a tuneable sub-nanometer oxidation and reduction agent via endohedral doping
Walter Michael\Hakkinen Hannu
Phys. Chem. Chem. Phys., Vol: 8, No: 46 , published: 09 December 2007
An ab initio investigation of zinc chloro complexes
Pye Cory C.\Corbeil Christopher R.\Rudolph Wolfram W.
Phys. Chem. Chem. Phys., Vol: 8, No: 46 , published: 09 December 2007
Unusual terpyridines as ligands for novel light-emitting iridium(~I~I~I) complexes: synthesis and characterization
Winter Andreas\Ulbricht Christoph\Holder Elisabeth\et al.
Austral. J. Chem., Vol: 59, No: 11 , published: 09 December 2007
Ab initio calculations on the spectroscopic constants, vibrational levels and classical turning points for the 2{1}_P[u] state of dimer {7}Li[2]
Liu Yu-Fang\Sun Jin-Feng\Ma Heng\Zhu Zun-Lue
Chin. Phys., Vol: 16, No: 3 , published: 08 December 2007
Frequency-dependent response properties and excitation energies from one-electron density matrix functionals
Pernal Katarzyna\Cioslowski Jerzy
Phys. Chem. Chem. Phys., Vol: 9, No: 45 , published: 03 December 2007
On the role of higher-order correlation effects on the induction interactions between closed-shell molecules
Korona Tatiana
Phys. Chem. Chem. Phys., Vol: 9, No: 45 , published: 03 December 2007
Влияние конфигурации атома азота аминогруппы на эффективность флуоресценции производных 4-аминонафталимида
Медных Ю.А.\Манаев Ю.А.\Волчков В.В.\Ужинов Б.М.
Ж. общ. химии, Vol: 74, No: 11 , published: 02 December 2007
Синтез производных бензо_(f_)хинолина конденсацией N-арилметилен-2-нафтиламинов с ацетилциклогексаном и 1-ацетилциклогексеном
Грачек В.И.
Ж. общ. химии, Vol: 74, No: 11 , published: 02 December 2007
Фталоцианины и родственные соединения. ~X~X~X~V~I~I~I. Синтез симметричных таурин- и холинзамещенных фталоцианинов
Михаленко С.А.\Соловьева Л.И.\Лукьянец Е.А.
Ж. общ. химии, Vol: 74, No: 11 , published: 02 December 2007
Несимметричные порфиразины. Синтез, структура, свойства
Майзлиш В.Е.\Кулинич В.П.\Шапошников Г.П.
Ж. общ. химии, Vol: 74, No: 11 , published: 02 December 2007
Синтез комплексов меди, кобальта и цинка с макрогетероциклическими лигандами на основе 1,3-индандиона
Березина Г.Р.\Воробьев Ю.Г.\Смирнов Р.П.\Соколова Н.В.
Ж. общ. химии, Vol: 74, No: 11 , published: 02 December 2007
Фотохромизм о-гидроксиазометинов и бисхелатных комплексов металлов на их основе
Метелица А.В.\Минкин В.И.\Коробов М.С.\и др.
Рос. хим. ж., Vol: 48, No: 1 , published: 02 December 2007
Новые достижения в химии пространственно экранированных орто-замещенных N-арилхинониминов
Олехнович Л.П.\Ивахненко Е.П.\Любченко С.Н.\и др.
Рос. хим. ж., Vol: 48, No: 1 , published: 02 December 2007
Влияние строения молекул на изменение прочности связи C_-N в ряду нитроалканов. ~I~I. Нитроэтан, фторнитроэтаны, хлорнитроэтаны, фторхлорнитроэтаны
Храпковский Г.М.\Чачков Д.В.\Шамов А.Г.
Ж. общ. химии, Vol: 74, No: 11 , published: 02 December 2007
N-Бензильные производные эфиров валина
Якубович Л.С.\Жавнерко К.А.\Широкий О.В.\Книжников В.А.
Ж. общ. химии, Vol: 74, No: 11 , published: 02 December 2007
Ферроценилзамещенные _a,_b-непредельные кетоны в синтезе тетрагидропипимидинонов
Климова Е.И.\Лорез Э.А.В.\Климова Т.\и др.
Ж. общ. химии, Vol: 74, No: 11 , published: 02 December 2007
Влияние электронно-колебательного взаимодействия на второй электронный переход молекул тетраазапорфина и тетраазахлорина
Арабей С.М.\Соловьев К.Н.\Макарова Е.А.
Ж. прикл. спектроскопии, Vol: 71, No: 1 , published: 01 December 2007
Люминесцентные свойства митоксантрона в различных условиях микроокружения
Аскирка В.Ф.\Маскевич А.А.\Степуро В.И.\Маскевич С.А.
Ж. прикл. спектроскопии, Vol: 71, No: 1 , published: 01 December 2007
Роль среды в безызлучательной конверсии энергии возбужденного S[1]-состояния в равновесных системах с внутримолекулярным переносом заряда
Павлович В.С.
Ж. прикл. спектроскопии, Vol: 71, No: 1 , published: 01 December 2007
Сверхтонкая структура МАРИ-спектра трехспиновой системы ион-радикал/ион-бирадикал в области J-резонанса
Верховлюк В.Н./Лукзен Н.Н./Педерсен Й.Б./и др.
Докл. РАН, Vol: 417, No: 3 , published: 30 November 2007
Новые несимметричные индодикарбоцианиновые красители
Кузнецова В.Е./Давыдов А.В./Василисков В.А./и др.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Комплексы фуллеренов с дитиокарбатами двухвалентных металлов: структура, магнитные свойства и фотопроводимость
Конарев Д.В./Хасанов С.С./Лопатин Д.В./и др.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Синтез и электрохимическое исследование комплексов Co{~I~I}, Ni{~I~I} и Cu{~I~I} с органическими лигандами N[2]S[2]-типа на основе 2-тиозамещенных бензальдегидов и ароматических аминов
Белоглазкина Е.К./Шиморский А.В./Мажуга А.Г./и др.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Синтез 1(11)H-2,3,4,5-тетрагидро_(1,3_)диазепино_(1,2-a_)бензимидазола из бензимидазол-2-сульфокислоты. Особенности внутримолекулярной циклизации 2-(_d-хлорбутиламино)бензимидазола
Анисимова В.А./Кузьменко В.В./Кузьменко Т.А./Морковник А.С.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Влияние расположения стирилового фрагмента на оптические свойства и процесс комплексообразования моно- и бис(стирил)замещенных перхлоратов N-метилпиридиния, содержащих фрагменты бензо-15-краун-5-эфира
Тулякова Е.В./Федорова О.А./Федоров Ю.В./и др.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Арениевый катион _- ключевой интермедиат электросинтеза N-(2,5-диметоксифенил)азолов. Новый подход к получению N-(диметоксифенил)азолов
Петросян В.А./Бурасов А.В.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Дегидроиодирование 2-иод-3-(полифторалкил)пропоксиметилоксиранов
Бажин Д.Н./Горбунова Т.И./Запевалов А.Я./Салоутин В.И.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Аренсульфонилимины метилтрифторпирувата в реакциях циклоконденсации с 1,3-C,N- и -N,N-бинуклеофилами
Соколов В.И./Аксиненко А.Ю./Мартынов И.В.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Диэтоксифосфорилимин метилтрифторпирувата в циклоконденсации с 1,3-C,N- и -N,N-бинуклеофилами
Соколов В.Б./Аксиненко А.Ю.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Эфиры 2-изоцианато-3,3,3-трифтор-2-хлор-пропионовой кислоты
Соколов В.Б./Горева Т.В./Епишина Т.А./Аксиненко А.Ю.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Гликольурилы в реакциях _a-урендо- и _a-аминоалкилирования. Сообщ. 1. _a-Уреидоалкилирование сульфамидов N-(гидроксиметил)гликольурилами
Газиева Г.А./Кравченко А.Н./Трунова Н.С./Махова Н.Н.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Синтез новых производных фурохинолина и фуробензодиазепина на основе тетроновой кислоты
Савина С.А./Любчанская В.М./Алексеева Л.М./и др.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Поликонденсированные азотсодержащие гетероциклы. Сообщ. 17. 4-Гидрокси-2-(2-пиридилимино)-3-фенил- и 4-гидрокси-3-(2-пиридил)-3-фенилиминотиазолидины и тиазоло_(3,4-_a_)хиноксалины на их основе
Мамедов В.А./Жукова Н.А./Бесчастнова Т.Н./и др.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Синтез гексагидроазонино_(5,6-b_)индолов из гексагидроазепино_(4,3-b_)- и -_(3,4-b_)индолов и активированных алкинов
Воскресенский Л.Г./Акбулатов С.В./Борисова Т.Н./и др.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Соли пирано_(4,3-d_)пиримидиния. Сообщ. 1. Реакции с N-нуклеофилами
Цупак Е.Б./Шевченко М.А./Коструб В.В./Ткаченко Ю.Н.
Изв. РАН. Сер. хим., Vol: 2007, No: 11 , published: 25 November 2007
Matrix-isolation ifrared spectorscopic and density functional theory studies on reactions of laser-ablated lead and tin atoms with water molecules
Teng Yun-Lei/Jiang Ling/Han Song/Xu Qiang
Bull. Chem. Soc. Jpn., Vol: 80, No: 11 , published: 24 November 2007
Оценка расстояния максимального сближения гидратированных ионов при образовании ионных пар в водных растворах электролитов по акустическим данным
Низомов З.
Изв. вузов. Химия и хим. технол., Vol: 50, No: 11 , published: 24 November 2007
Synthesis of CD[3]-labeled 11-cis-retinals and application to solid-state deuterium NMR spectroscopy of rhodopsin
Tanaka Katsunori/Struts Andrey V./Krane Sonja/et al.
Bull. Chem. Soc. Jpn., Vol: 80, No: 11 , published: 24 November 2007
New and direct approach to hypervalent iodine compounds from arenes and iodine. Staightforward synthesis of (ciacetoxyiodo)arenes and diaryliodonium salts using potassium _m-peroxo-hexaoxodisulfate
Hossain Delwar/Kitamura Tsugio
Bull. Chem. Soc. Jpn., Vol: 80, No: 11 , published: 24 November 2007
Theoretical design of monofunctional psoralen compounds in photochemotherapy
Nakata A./Baba T./Nakai H.
Bull. Chem. Soc. Jpn., Vol: 80, No: 7 , published: 23 November 2007
Formation, structure, and stability of _a- and _b-cyclodextrin inclusion complexes of phenol and benzoic acid derivatives in vacuo and in water
Song L.X./Wang H.M./Xu P./et al.
Bull. Chem. Soc. Jpn., Vol: 80, No: 12 , published: 23 November 2007
Spin-crossover behavior of siomorphous Bi- and mononuclear iron(III) complexes
Imatomi S./Sato T./Hamamatsu T./et al.
Bull. Chem. Soc. Jpn., Vol: 80, No: 12 , published: 23 November 2007
Квантовохимическое и корреляционное исследование ионизации пурпурина
Файн В.Я.\Зайцев Б.Е.\Рябов М.А.
Ж. общ. химии, Vol: 75, No: 8 , published: 19 November 2007
Экстракоординация Zn-тетрафенилпорфина с N-оксидами ряда пиридина, хинолина и акридина
Андреев В.П.\Нижник Я.П.\Безручко Д.Г.\Морозов А.К.
Ж. общ. химии, Vol: 75, No: 8 , published: 19 November 2007
Electro- and spectroscopic studies of 2(3H)-thiazolone azine as precursors to air-stable radical cations
Cavali~1e-Koshiery Hicham\Hammami Amer\Garcia B~1eatrice\et al.
Bull. Chem. Soc. Jpn., Vol: 77, No: 10 , published: 19 November 2007
Synthesis and electrochemical properties of oxovanadium complexes with a pentadentate schiff base ligand
Tsuchimoto Masanobu\Ishii Toshio\Imaoka Takane\Yamamoto Kimihisa
Bull. Chem. Soc. Jpn., Vol: 77, No: 10 , published: 19 November 2007
Crystal and molecular structures of bis_(8-(diphenylphosphino)-quainoline_)palladium(~I~I) complexes: Pd(Ph[2]Pqn)[2]XY (XY=Cl[2], Br[2] or ClBF[4])
Suzuki Takayoshi
Bull. Chem. Soc. Jpn., Vol: 77, No: 10 , published: 19 November 2007
Preparation and oxidation of Pt(~I~I) complexes containing both C-deprotonated 2-phenylpyridine (ppy{_-}) and a sulfur-rich dithiolate ligand and X-ray crystal structure of _(NBu[4]{n}_)_(Pt(ppy)(C[8]H[4]S[8])_)
Suga Yusuke\Nakano Motohiro\Tamura Hatsue\Matsubayashi Gen-etsu
Bull. Chem. Soc. Jpn., Vol: 77, No: 10 , published: 19 November 2007
Стандартные энтальпии образования сукцинатов и малонатов неодима(~I~I~I) и эрбия(~I~I~I)
Шабанова И.В.\Панюшкин В.Т.\Стороженко Т.П.\Зеленов В.И.
Ж. общ. химии, Vol: 75, No: 8 , published: 19 November 2007
Термодинамические характеристики газофазных комплексов GaCl[3]pyz и GaCl[3]pyzGaCl[3]
Тимошкин А.Ю.\Березовская Е.А.\Суворов А.В.\Мишарев А.Д.
Ж. общ. химии, Vol: 75, No: 8 , published: 19 November 2007
Термохимическое исследование газообразных солей кислородсодержащих кислот. ~X~V~I~I~I. Соли кобальта(~I~I)
Шугуров С.М.\Лопатин С.И.\Семенов Г.А.\Столярова В.Л.
Ж. общ. химии, Vol: 75, No: 8 , published: 19 November 2007
Термодинамическое исследование оксиэтилированных гликолей и их смесей с третичными амидами карбоновых кислот
Зайчиков А.М.
Ж. общ. химии, Vol: 75, No: 8 , published: 19 November 2007
Теоретическое и экспериментальное исследование влияния _b-тетрафенильного замещения на кислотно-основные свойства порфиразина
Стужин П.А.\Иванова Ю.Б.\Мигалова И.С.\Шейнин В.Б.
Ж. общ. химии, Vol: 75, No: 8 , published: 19 November 2007
Analysis of vibrational_-rotational spectra with optimal fitting parameters for Born_-Oppenheimer corrections to dunham's Y[ij]: an application to spectral data of HCl
Uehara Hiromichi\Horiai Koui\Akiyama Kazufumi
Bull. Chem. Soc. Jpn., Vol: 77, No: 10 , published: 19 November 2007
Электронное и пространственное строение молекул ряда ClAsX[2] по данным ЯКР {35]Cl и квантовой химии
Фешин В.П.\Фешина Е.В.\Жижина Л.И.
Ж. общ. химии, Vol: 75, No: 8 , published: 19 November 2007
Сигматропные изомеризации в азааллильных система. ~X~X~I~I. 1,3-Перенос протона в N-алкилтрифторацемитимидоилфосфонатах
Онысько П.П.\Ким Т.В.\Киселева Е.И.\и др.
Ж. общ. химии, Vol: 75, No: 8 , published: 19 November 2007
4,4-Диметил-4-силатиан и его S-функциональные производные
Суслова Е.Н.\Албанов А.И.\Шаинян Б.А.
Ж. общ. химии, Vol: 75, No: 8 , published: 19 November 2007
Новая реакция органических моногалогенидов с ортоформиатами
Газизов М.Б.\Ибрагимов Ш.Н.\Хамидуллина О.Д.\и др.
Ж. общ. химии, Vol: 75, No: 8 , published: 19 November 2007
Experimental and theoretical study of 2,6-difluorophenylnitrine, its radical cation, and their rearrangement products in argon matrices
Carra Claudio\Nussbaum Rafael\Bally Thomas
ChemPhysChem., Vol: 7, No: 6 , published: 18 November 2007
Особенности взаимодействия некоторых 2-хлорникотинонитрилов с гидроксиламином. Синтез 3-(1,2,4-оксадиазолил-3)-пиридинов и их фрагментация под действием электронного удара
Дмитриева И.Г.\Кайгородова Е.А.\Дядюченко Л.В.\Губанова Н.Я.
Изв. вузов. Химия и хим. технол., Vol: 48, No: 11 , published: 18 November 2007
Молекулярно-статистический расчет термодинамических характеристик адсорбции молекул малых и средних карбоциклов на базисной грани графита
Яшкин С.Н.\Светлов Д.А.\Кузьменко И.А.
Изв. вузов. Химия и хим. технол., Vol: 48, No: 10 , published: 18 November 2007
Дисперсионные взаимодействия, электронные спектры поглощения антраценов в полярных стеклующихся средах при 77_-300 К и изменение поляризуемости при возбуждении
Павлович В.С.
Ж. прикл. спектроскопии, Vol: 74, No: 2 , published: 17 November 2007
Сверхтонкая структура спектров ЭПР каталитической системы TiCl[4]+Al(i-C[4]H[9])[3]
Махиянов Н.\Биктагиров В.В.
Ж. прикл. спектроскопии, Vol: 74, No: 2 , published: 17 November 2007
Новые 9-изоцианато-о- и 9-изоцианато-м-карбораны: синтез, химические и биологические свойства
Ольшевская В.А.\Зайцев А.В.\Аюб Р.\и др.
Докл. РАН, Vol: 405, No: 2 , published: 17 November 2007
Chlorine-benzene complexes - the reliability of density functionals for non-covalent radical complexes
Croft A.K./Howard-Jones H.M.
Phys. Chem. Chem. Phys., Vol: 9, No: 42 , published: 16 November 2007
Fully state-selected VML study of the near-threshold photodissociation of NO2: variation of the angular anisotropy parameter
Matthews S.J./Willitsch S./Softley T.P.
Phys. Chem. Chem. Phys., Vol: 9, No: 42 , published: 16 November 2007
Влияние релаксации базисных орбиталей на свойства атома и молекулярных систем водорода
Ермаков А.И.\Меркулов А.Е.\Свечникова А.А.\Белоусов В.В.
Ж. структур. химии, Vol: 45, No: 6 , published: 12 November 2007
"Спектроскопическое" вычисление энергии диссоциации связей CH и NH ряда первичных аминов
Грибов Л.А.\Новаков И.А.\Павлючко А.И.\и др.
Ж. структур. химии, Vol: 45, No: 6 , published: 12 November 2007
Бензо-1,2,3-оксадиазол и 6-диазоциклогекса-2.4-диенон: структура и относительные энергии молекул
Семенов С.Г.\Сиголаев Ю.Ф.
Ж. структур. химии, Vol: 45, No: 6 , published: 12 November 2007
The electronic structure of transition metal dihelide dications
Wilson David J.D.\Von Nagy-Felsobuki Ellak I.
Phys. Chem. Chem. Phys., Vol: 8, No: 29 , published: 11 November 2007
Two hydrogen ligands on tetrairidium clusters. A relativistic density functional study
Kruger Sven\Bussai Chuenchit\Genest Alexander\Rosch Notker
Phys. Chem. Chem. Phys., Vol: 8, No: 29 , published: 11 November 2007
Photophysics of intramolecularly hydrogen-bonded aromatic systems: ab initio exploration of the wcited-state deactivation mechanism of salicylic acid
Sobolewski Andrzej L.\Domcke Wolfgang
Phys. Chem. Chem. Phys., Vol: 8, No: 29 , published: 11 November 2007
Macrocyclic complexes of manganese(~I~I), nickel(~I~I), cobalt(~I~I) and copper(~I~I) with N[2]S[2] macrocyclic ligand
Khan T.A.\Tabassum Sh.
Докл. Бълг. АН, Vol: 58, No: 2 , published: 11 November 2007
Spin-spin coupling constants in homonuclear polynitrogen species
Bryce David L.
Phys. Chem. Chem. Phys., Vol: 8, No: 29 , published: 11 November 2007
Basis-set extensions for two-component spin-orbit treatments of heavy elements
Armbruster Markus K.\Klopper Wim\Weigend Florian
Phys. Chem. Chem. Phys., Vol: 8, No: 42 , published: 05 November 2007
Комплексообразование N-оксидов пиридиновых оснований с иодом
Пономаренко С.П.\Боровиков Ю.Я.\Сивачек Т.Е.\Маковецкий В.П.
Ж. общ. химии, Vol: 74, No: 12 , published: 04 November 2007
Моноциклические ферроценил-4,5-дигидропиразолы в реакции с _b-дикарбонильными соединениями
Климова Е.И.\Лорез Э.А.В.\Климова Т.\и др.
Ж. общ. химии, Vol: 74, No: 12 , published: 04 November 2007
Неустойчивость молекулярной структуры монобензопорфирина к альтернированию длин связей макроцикла и ее проявление в электронных спектрах
Кузьмицкий В.А.
Ж. прикл. спектроскопии, Vol: 71, No: 6 , published: 03 November 2007
Singlet-triplet energy separations in divalent seven-membered cyclic conjugated compounds C6H6C, C6H6Si, C6H6Ge, C6H6Sn and C6H6Pb
Vessally E.\Chalyavi N.\Rezaei A.\Nikoorazm M.
Ж. физ. химии, Vol: 81, No: 11 , published: 01 November 2007
Probing actinide electronic structure using fluorescence and multi-photon ionization spectroscopy
Heaven Michael C.
Phys. Chem. Chem. Phys., Vol: 8, No: 39 , published: 30 October 2007
Tautomers and electronic states of jet-cooled 2-aminopurine investigated by double resonance spectrscopy and theory
Seefeld Kai A.\Pl~:utzer Christian\L~:owenich Dennis\et al.
Phys. Chem. Chem. Phys., Vol: 7, No: 16 , published: 30 October 2007
The photophysical properties of a julolidene-based molecular rotor
Allen Ben D.\Benniston Andrew C.\Harriman Anthony\et al.
Phys. Chem. Chem. Phys., Vol: 7, No: 16 , published: 30 October 2007
The effect of solvent polarity on the photophysical properties of 4-cyano-(4_"-methylthio)diphenylacetylene: a prototypic donor_-acceptor system
Benniston Andrew C.\Harriman Anthony\Rostron James P.
Phys. Chem. Chem. Phys., Vol: 7, No: 16 , published: 30 October 2007
The low energy tautomers and conformers of the dipeptides HisGly and GlyHis and of their sodium ion complexes in the gas phase
Kapota Catherine\Ohanessian Gilles
Phys. Chem. Chem. Phys., Vol: 7, No: 21 , published: 30 October 2007
Synthesis of _a-carbolines by copper-catalyzed radical cyclization of _b-(3-indolyl) ketone O-pentafluorobenzoyloximes
Tanaka Kenichi\Kitamura Mitsuru\Narasaka Koichi
Bull. Chem. Soc. Jpn., Vol: 78, No: 9 , published: 30 October 2007
Quasi-classical trajectories study of Ne79Br2(B) vibrational predissociation
Gonzalez-Martinez M.L.\Rubayo-Soneira J.\Janda K.
Phys. Chem. Chem. Phys., Vol: 8, No: 39 , published: 30 October 2007
Синтез азосоединений, содержащих ядро хинолин-4-карбоновой кислоты
Швехгеймер М.-Г.А.\Кондрашова Н.Н.
Докл. РАН, Vol: 391, No: 2 , published: 27 October 2007
Новые, инертные в реакиях присоединения трехкоординационные о-семихиноновые комплексы меди(~I) с фосфиновыми лигандами _- производными 2-бифенила
Абакумов Г.А.\Крашилина А.В.\Черкасов В.К.\Захаров Л.Н.
Докл. РАН, Vol: 391, No: 3 , published: 27 October 2007
Взаимодействие воды с простыми молекулами в поле дефектов кристаллической решетки цеолита
Тихий Я.В.\Кубасов А.А.\Степанов Н.Ф.
Ж. физ. химии, Vol: 77, No: 9 , published: 27 October 2007
Электрон-ядерные магнитные взаимодействия и химическая реакционная способность в слабых магнитных полях
Бердинский В.Л.\Ясина Л.Л.\Бучаченко А.Л.
Ж. физ. химии, Vol: 77, No: 9 , published: 27 October 2007
Электронные корреляции в кристаллах и молекулах
Пирятинский Ю.П.\Репецкий Е.С.\Шатний Т.Д.
Оптика и спектроскопия, Vol: 96, No: 3 , published: 25 October 2007
A near-IR emitting Bodipy-based dye fitted with ancillary light harvesting units
Harriman Anthony/Mallon Laura J./Goeb Sebastien/Ziessel Raymond
Phys. Chem. Chem. Phys., Vol: 9, No: 38 , published: 22 October 2007
Intersystem crossing driven by vibronic spin-orbit coupling. A case study on psoralen
Tatchen Jorg/Gilka Natalie/Marian Christel M.
Phys. Chem. Chem. Phys., Vol: 9, No: 38 , published: 22 October 2007
Synthesis of near-infrared fluorescent 2,3-dicyano-6H-1,4-diazepines
Horiguchi Emi\Funabiki Kazumasa\Matsui Masaki
Bull. Chem. Soc. Jpn., Vol: 78, No: 2 , published: 20 October 2007
Organosilicon compounds with blue photoluminescence properties
Zheng Guorong\Wei Li\Wang Zixing\Lu Ping
Austral. J. Chem., Vol: 57, No: 8 , published: 20 October 2007
Recent advances in luminescent monomeric, multinuclear, and polymeric Zn(~I~I) and Cd(~I~I) coordination complexes
Zheng Shao-Liang\Chen Xiao-Ming
Austral. J. Chem., Vol: 57, No: 8 , published: 20 October 2007
Synthesis, characterization, and near-infrared photoluminescence of novel neodymium(~I~I~I) complexes
He Hongshan\Wong Wai-Kwok\Guo Jianping\et al.
Austral. J. Chem., Vol: 57, No: 8 , published: 20 October 2007
Synthesis and reactions of cyclic silylboranes
Suginome Michinori\Noguchi Hiroyoshi\Hasui Tomoaki\Murakami Masahiro
Bull. Chem. Soc. Jpn., Vol: 78, No: 2 , published: 20 October 2007
Palladium-catalyzed carboacylation of alkenes by using acylchromates as acyl donors
Yamane Motoki\Kubota Yuko\Narasaka Koichi
Bull. Chem. Soc. Jpn., Vol: 78, No: 2 , published: 20 October 2007
Efficient synthesis of 1,4-dialkoxy and 1,4-dialkyl substituted 2,5-di-vinylbenzenes via the stille reaction
Daoud Walid A.\Turner Michael L.
Bull. Chem. Soc. Jpn., Vol: 78, No: 2 , published: 20 October 2007
Солитонный характер электронного строения ионов линейных сопряженных систем
Качковский А.Д.
Теор. и эксперим. химия, Vol: 41, No: 3 , published: 19 October 2007
Структура и электронное строение новых графиноподобных фуллеренов нитрида бора: квантовохимическое моделирование
Еняшин А.Н.\Макурин Ю.Н.\Ивановский А.Л.
Теор. и эксперим. химия, Vol: 40, No: 2 , published: 19 October 2007
Синтез функционально замещенных пирроло_(3,2-f_)хинолонов из 6-метил-2-фенил- и 1,6-диметил-2-фенил-4-аминоиндолов
Ямашкин С.А.\Романова Г.А.\Юровская М.А.
Вестн. МГУ. Сер. 2, Vol: 45, No: 1 , published: 19 October 2007
Синтез метил-, метоксипирроло_(3,2-f_)хинолонов и их фторированных аналогов из 6-замещенных-5-аминоиндолов
Ямашкин С.А.\Романова Г.А.\Юровская М.А.
Вестн. МГУ. Сер. 2, Vol: 45, No: 1 , published: 19 October 2007
Особенности структуры гидратных оболочек ионов H[5]O[2]{+} и H[3]O[2]{_-} в водных растворах кислот и оснований
Тараканова Е.Г.\Юхневич Г.В.\Либрович Н.Б.
Хим. физ., Vol: 24, No: 6 , published: 19 October 2007
Реакционная способность напряженной двойной связи. Неэмпирический расчет реакции озона с транс-бутеном
Крисюк Б.Э.\Попов А.А.
Хим. физ., Vol: 24, No: 8 , published: 19 October 2007
Квантовохимическое исследование интермедиатов реакции присоединения фенилсульфений-катиона к замещенным ацетиленам
Нестеренко А.М.\Станинец В.И.
Теор. и эксперим. химия, Vol: 40, No: 2 , published: 19 October 2007
Химия P-фторсодержащих илидов
Колодяжный О.И.
Ж. общ. химии, Vol: 75, No: 7 , published: 19 October 2007
Синтез и спектральные характеристики гидразонов и N-ацилгидразонов, содержащих дихлорпиридильные фрагменты
Кобраков К.И.\Келарев В.И.\Соколова Е.В.\Рыбина И.И.
Изв. вузов. Химия и хим. технол., Vol: 48, No: 5 , published: 19 October 2007
Спектры ЯМР замещенных алкенов с N-содержащими группами и с простой эфирной связью
Плиев Т.Н.\Карпов О.Н.
Изв. вузов. Химия и хим. технол., Vol: 48, No: 6 , published: 19 October 2007
Photophysics of ruthenium polypyridyl complexes formed with lacunary polyoxotungstates with iron addenda
Seery Michael K.\Fay Nigel\McCormac Timothy\et al.
Phys. Chem. Chem. Phys., Vol: 7, No: 19 , published: 17 October 2007
Спектральные свойства и конформации нелинейных кетоцианинов
Шведова Л.А./Татиколов А.С./Шашков А.С./и др.
Изв. РАН. Сер. хим., Vol: 2007, No: 10 , published: 16 October 2007
Синтез, строение и электрохимические свойства 2{1},3{1}-дифенил-1{2},4{2}-диоксо-7,10,13-триокса-1,4(3,1)-дихиноксалина-2(2,3),3(3,2)-дииндолизинациклопентадекафана
Мамедов В.А./Калинин А.А./Янилкин В.В./и др.
Изв. РАН. Сер. хим., Vol: 2007, No: 10 , published: 16 October 2007
О проявлении электроноядерной динамики в спектрах ЯКР {59}Co ряда производных кобальтоцения
Семин Г.К./Брюхова Е.В./Кузнецов С.И.
Изв. РАН. Сер. хим., Vol: 2007, No: 10 , published: 16 October 2007
Пирилиевые соли в синтезе производных 2-пиразолина и неизвестных ранее замещенных 3,3а,4,7-тетрагидропиразоло_(1.5-a_)пиридин-7-онов
Ухин Л.Ю.
Изв. РАН. Сер. хим., Vol: 2007, No: 10 , published: 16 October 2007
Описание спектра молекулы этанола при учете смешивания ее транс- и гош-конформеров
Буренин А.В.
Оптика и спектроскопия, Vol: 95, No: 2 , published: 15 October 2007
Изучение влияния фотоизомеризации на фотопроцессы в молекулах со стириловой группой
Артюхов В.Я.\Синченко Е.И.
Оптика и спектроскопия, Vol: 95, No: 2 , published: 15 October 2007
Экспериментальное и теоретическое исследование процесса внутримолекулярной циклизации фосфорилированных тиомочевин
Зверев В.В.\Чмутова Г.А.\Пудовик М.А.\и др.
Ж. общ. химии, Vol: 75, No: 3 , published: 15 October 2007
Молекулярные комплексы иода с ароматическими соединениями
Прялкин Б.С.
Ж. общ. химии, Vol: 75, No: 3 , published: 15 October 2007
Интегральные характеристики вибронно-спин-орбитальных взаимодействий в фосфорсодержащей молекуле, аналоге флуорена
Гастилович Е.А.\Клименко В.Г.\Королькова Н.В.\и др.
Оптика и спектроскопия, Vol: 99, No: 1 , published: 15 October 2007
Безызлучательная дезактивация нижнего триплетного состояния нафталина и его оксипроизводных при 77 K
Горяева Е.М.\Шабля А.В.\Ермолаев В.Л.
Оптика и спектроскопия, Vol: 95, No: 2 , published: 15 October 2007
Спектральные характеристики и кислотно-основные свойства производных 3-тиазолилхромона
Рошаль А.Д.\Львовская М.И.\Хиля В.П.
Ж. физ. химии, Vol: 79, No: 8 , published: 14 October 2007
О некоторых соотношениях между полными энергиями молекулярных систем
Станкевич И.В.\Сэто Р.
Ж. физ. химии, Vol: 79, No: 7 , published: 14 October 2007
Поглощение и флуоресценция 8-азастероидов в газовой фазе
Борисевич Н.А.\Райченок Т.Ф.\Суходола А.А.\и др.
Ж. прикл. спектроскопии, Vol: 72, No: 1 , published: 12 October 2007
Mechanism of mass spectral fragmentation of dinuclear copper(~I~I) complexes with heterocyclic dithiocarbamates and octaazamacrocyclic ligand
Sovilj S.P.\Babi~1c-Samard~3zija K.\Avramovi~1c N.
Ж. прикл. спектроскопии, Vol: 72, No: 1 , published: 12 October 2007
Закономерности комплексообразования хлорида e[6] и тетра(p-карбоксифенил)порфирина с малатдегидрогеназой
Плавский В.Ю.\Мостовников В.А.\Мостовникова Г.Р.\и др.
Ж. прикл. спектроскопии, Vol: 72, No: 1 , published: 12 October 2007
Ab initio calculation on accurate analytic potential energy functions and harmonic frequencies of c{3}_S[g]{+} and B{1}_P[u] states of dimer {7}Li[2]
Yu Ben-Hai/Shi De-Heng/Sun Jin-Feng/et al.
Chin. Phys., Vol: 16, No: 8 , published: 12 October 2007
Аномальный характер взаимодействия молекул C[60] с поверхностью (100)Ta, насыщенной серой
Галль Н.Р.\Рутьков Е.В.\Тонтегоде А.Я.
Письма в ЖЭТФ, Vol: 79, No: 5-6 , published: 12 October 2007
Vibrational relaxation dynamics of I{35}C(B, _n_") induced by low-temperature collisions with He atoms
Darr Joshua P.\Loomis Richard A.
Phys. Chem. Chem. Phys., Vol: 7, No: 18 , published: 11 October 2007
The electronic spectrum of protonated adenine: theory and experiment
Marian Christel\Nolting Dirk\Wenkauf Rainer
Phys. Chem. Chem. Phys., Vol: 7, No: 18 , published: 11 October 2007
Fundamental studies on the structures and spectroscopic properties of imidazolo_(1,2-a_)pyrazin-3(7H)-one derivatives
Nakai Shunichiro\Yasui Masanori\Nakazato Masaki\et al.
Bull. Chem. Soc. Jpn., Vol: 76, No: 12 , published: 11 October 2007
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: design and assessment of accuracy
Weigend Florian\Ahlrichs Reinhart
Phys. Chem. Chem. Phys., Vol: 7, No: 18 , published: 11 October 2007
Factors affecting the conformational preference and magnetic shielding of isobutenylene chains in macrocyclic salicylideneaniline derivatives
Houjou Hirohiko\Tsuzuki Seiji\Nagawa Yoshinobu\et al.
Bull. Chem. Soc. Jpn., Vol: 76, No: 12 , published: 11 October 2007
Внутримолекулярный эффект тяжелого атома в фотофизике органических молекул
Соловьев К.Н.\Борисевич Е.А.
Успехи физ. наук, Vol: 175, No: 3 , published: 10 October 2007
Theoretical study of the ground and excited states of 7-methyl quanine and 9-methyl guanine: comparison with experiment
Cerny Jiri\Spirko Vladimir\Mons Michel\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 26 , published: 09 October 2007
The origin of systematic error in the standard enthalpies of formation of hydrocarbons computed via atomization schemes
Tasi Gyula\Izsak Robert\Matisz Gergely\et al.
ChemPhysChem., Vol: 7, No: 8 , published: 09 October 2007
A unified view of the theoretical description of magnetic coupling in molecular chemistry and solid state physics
Moreira Iberio de P.R.\Illas Francesc
Phys. Chem. Chem. Phys., Vol: 8, No: 14 , published: 09 October 2007
Infrared spectroscopy of the Li+(H2O)Ar complex: the role of internal energy and its dependence on ion preparation
Vaden Timothy D.\Lisy James M.\Carnegie Prosser D.\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 26 , published: 09 October 2007
An experimental and theoretical study of ring closing dynamics in HN3
Zhang Jianyang\Zhang Peng\Chen Yuan\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 14 , published: 09 October 2007
Calix_(5_)arene-based receptor for dumb-bell-shaped C[120]
Haino Takeharu\Seyama Jun\Fukunaga Chigusa\et al.
Bull. Chem. Soc. Jpn., Vol: 78, No: 5 , published: 05 October 2007
Rotational isomerism involving an acetylenic carbon. ~V~I. Syntheses, structures, and dynamic stereochemistry of bis(1-phenyl-9-anthryl)ethynes: highly restricted rotation about acetylenic axis in acyclic diarylethynes
Makino Toshiaki\Toyota Shinji
Bull. Chem. Soc. Jpn., Vol: 78, No: 5 , published: 05 October 2007
Facile reductive coupling reaction of bis(ruthenocenylethynyl)-titanocene complexes via visible light-activation of the ruthenocenyl terminal
Hayashi Yukiko\Wakatsuki Yasuo\et al.
Bull. Chem. Soc. Jpn., Vol: 78, No: 5 , published: 05 October 2007
Synthesis, structure, and DNA binding studies of copper(~I~I) complexes of terpyridine derivatives
Uma V.\Vaidyanathan V.G.\Nair Balachandran Unni
Bull. Chem. Soc. Jpn., Vol: 78, No: 5 , published: 05 October 2007
_m-hydroxo-_m-phenolato dinuclear zinc(~I~I) and nickel(~I~I) complexes derived from dinucleating compartmental ligands of "end-off" type: synthesis, structures, and properties
Matsufuji Kanako\Shiraishi Hitomi\Miyasato Yuji\et al.
Bull. Chem. Soc. Jpn., Vol: 78, No: 5 , published: 05 October 2007
High magnetic field effects on biradical lifetimes: evaluation of magnetic field dependence and chain length dependence using calculated g and hyperfine tensors
Mouri Yutaka\Fujiwara Yoshihisa\Aoki Takeshi\et al.
Bull. Chem. Soc. Jpn., Vol: 78, No: 5 , published: 05 October 2007
Interplay between cation-π, anion-π and π-π interactions
Quinonero D.\Frontera A.\Garau C.\et al.
ChemPhysChem., Vol: 7, No: 12 , published: 03 October 2007
A theoretical investigation of the gas-phase oxidation reaction of the saturated tert-butyl radical
Choi J.-H.\Nam M.-J.\Youn S.-E.
ChemPhysChem., Vol: 7, No: 12 , published: 03 October 2007
Theoretical investigations on the geometric and electronic structures of phenylene-acetylene macrocycles
Li Y.\Zhao J.\Yin X.\Yin G.
ChemPhysChem., Vol: 7, No: 12 , published: 03 October 2007
Structure and potential energy function of the ground state of XY(H, Li, Na)
Geng Zhen-Duo\Fan Xiao-Wei\Zhang Yan-Song
Acta phys. sin., Vol: 55, No: 5 , published: 03 October 2007
Studies on the full vibrational energies and dissociation energies for some states of alkali hydride molecules
Hu Shi-De\Sun Wei-Guo\Ren Wei-Yi\Feng Hao
Acta phys. sin., Vol: 55, No: 5 , published: 03 October 2007
Dipyridophenazine complexes of cobalt(~I~I~I): DNA photocleavage and photobiology
Funston Alison M.\Cullinane Carleen\Ghiggino Kenneth P.\et al.
Austral. J. Chem., Vol: 58, No: 3 , published: 01 October 2007
Оценка энергий диссоциации C_-X-связей в моногалоидалкилах по кинетическим данным
Кромкин Е.А.\Туманов В.Е.\Денисов Е.Т.
Хим. физ., Vol: 22, No: 11 , published: 28 September 2007
Полуэмпирическое исследование возмущений g-факторов Ланде электронно-колебательно-вращательных уровней водорода. ~I~I. Состояния i{3}_P[g]{_-} и j{3}_D[g]{_-} молекул H[2], HD и D[2]
Асташкевич С.А.
Оптика и спектроскопия, Vol: 96, No: 1 , published: 27 September 2007
Effects of spin mutliplicity on atomic structure of titanium trimer
Chang Zhi-Wen\Wang Qing-Lin\Liao You-Hua
Acta phys. sin., Vol: 55, No: 9 , published: 27 September 2007
Mass analyzed threshold ionization spectra of ethyl bromide
Tang Bi-Feng\Xiong Ping-Fan\Zhang Xiu\Zhang Bing
Acta phys. sin., Vol: 55, No: 9 , published: 27 September 2007
Structure and analytic potential energy functions of the molecules BH[2] and AlH[2]
Sun Jin-Feng\Wang Jie-Min\Shi De-Heng\Zhang Ji-Cai
Acta phys. sin., Vol: 55, No: 9 , published: 27 September 2007
Geometry and electronic properties of bimetallic Au[n] Y(n=1_-9) clusters
Mao Hua-Ping\Wang Hong-Yan\Zhu Zheng-He\Tang Yong-Jian
Acta phys. sin., Vol: 55, No: 9 , published: 27 September 2007
Полуэмпирическое исследование возмущений g-факторов Ланде электронно-колебательно-вращательных уровней водорода. ~I. Теория
Асташкевич С.А.
Оптика и спектроскопия, Vol: 96, No: 1 , published: 27 September 2007
4-гидрокси(ацилокси)-3-метокси(этокси)-фенилметилен(3-карбоксифенил)амины
Дикусар Е.А.\Козлов Н.Г.\Поткин В.И.\Зеленковский В.М.
Ж. общ. химии, Vol: 76, No: 1 , published: 24 September 2007
Спектральные характеристики метилзамещенных дипирролилметенов и их структурных аналогов
Березин М.Б.\Чернова О.М.\Сырбу С.А.\и др.
Изв. вузов. Химия и хим. технол., Vol: 46, No: 8 , published: 23 September 2007
Состояние трифенилмоноазатетрабензопорфирина-лиганда и его магниевого комплекса в протонодонорных средах на основе уксусной кислоты
Березин Д.Б.\Шухто О.В.
Изв. вузов. Химия и хим. технол., Vol: 46, No: 8 , published: 23 September 2007
Квантовохимические характеристики замещенных фенолят-анионов и оценка их потенциальной реакционной способности
Русаков А.И.\Мильто В.И.\Орлов В.Ю.\Миронов Г.С.
Изв. вузов. Химия и хим. технол., Vol: 46, No: 8 , published: 23 September 2007
Новые превращения дитерпеновых алкалоидов антранилатного типа
Малыхина Н.В.\Осадчий С.А.\Шакиров М.М.\и др.
Докл. РАН, Vol: 394, No: 3 , published: 23 September 2007
Origin of the bathochromically shifted optical spectra of meso-tetrathien-2"- and 3"-ylporphyrins as compared to meso-tetraphenylporphyrin
Bruckner Christian\Foss Paul C.D.\Sullivan James O.\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 20 , published: 20 September 2007
A new protocol to sytnthesize di(indolyl)pyrazolyl methanes using H[2]PtCl[6] as catalyst in ionic liquid: synthesis of nove 3-_(1H-indol-3-yl(3-phenyl-1H-pyrazol-4-yl)methyl_)-1H-indoles
Murugan Rajendran\Reddy Boreddy S.R.
Austral. J. Chem., Vol: 59, No: 4 , published: 20 September 2007
Фотоэлектронная спектроскопия и расчеты методом функционала плотности железотрикарбонильных комплексов винилафталинов
Крауклис И.В.\Чижов Ю.В.
Оптика и спектроскопия, Vol: 98, No: 3 , published: 18 September 2007
Franck_-Condon factors and r-centroids for the E{1}_P[u]_-X{1}_S[g]{+} system of Ag[2]
Kuzmanovi~1c M.\Khakoo M.A.\Bojovi~1c V.\Anti~1c-Jovanovi~1c A.
Ж. физ. химии, Vol: 81, No: 9 , published: 15 September 2007
Фотопревращения 2-метилфенола, 4-метилфенола и 2-амино--4-метилфенола в воде
Соколова Т.В.\Чайковская О.Н.\Соснин Э.А.\Соколова И.В.
Ж. прикл. спектроскопии, Vol: 73, No: 5 , published: 14 September 2007
Конформационный анализ производных 2,3-дигидро-3-О-(1,4-нафтохинон-2-ил)-2-оксо-1,4-нафтохинона методами функционала плотности и ИК спектроскопии
Бердышев Д.В.\Глазунов В.П.
Ж. прикл. спектроскопии, Vol: 73, No: 5 , published: 14 September 2007
Термораспад биядерных комплексов LM(_m-OOCR)[4]VML (L _- _a-замещенный пиридин). Сообщ. 1. Синтез, строение и твердофазный термолиз пивалатов Mn{~I~I}, Fe{~I~I}, Co{~I~I}, Ni{~I~I} и Cu{~I~I} с апикальными молекулами 2,3-диметилпиридина и хинолина
Фомина И.Г./Доброхотова Ж.В./Кискин М.А./и др.
Изв. РАН. Сер. хим., Vol: 2007, No: 9 , published: 14 September 2007
Термораспад биядерных комплексов LM(-M-OOCR)[4]ML (L _- _a-замещенный пиридин). Сообщ. 2. Влияние _a-аминогрупп на природу продуктов термолиза пивалатов Mn{~I~I}, Fe{~I~I}, Co{~I~I} и Cu{~I~I}
Фомина И.Г./Доброхотова Ж.В./Александров Г.Г./и др.
Изв. РАН. Сер. хим., Vol: 2007, No: 9 , published: 14 September 2007
Using spin polarised positive muons for studying guest molecule partitioning in soft matter structures
Martyniak A.\Dilger H.\Scheuermann R.\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 41 , published: 14 September 2007
Impact on lipid membrane organization by free branched-chain fatty acids
Lindstrom Fredrick\Thurnhofer Saskia\Vetter Walter\Grobner Gerhard
Phys. Chem. Chem. Phys., Vol: 8, No: 41 , published: 14 September 2007
(2+1) REMPI spectroscopy of the NO-CO, NO-N2, and NO-{N2, Ar} van der Waals complexes in the region of the 4s and 3d Rydberg states
Bergeron Denis E.\Musgrave Adam\Wright Timothy G.
Phys. Chem. Chem. Phys., Vol: 8, No: 41 , published: 14 September 2007
VUV electronic state spectrscopy of 1,1-difluoroethene and difluorochloromethane by high resolution synchrotron radiation
Limao-Vieira P.\Vasekova Eva\Raja Sekha B.N.\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 41 , published: 14 September 2007
Исследование спектрально-люминесцентных и генерационных свойств бифлуорофорных молекул. ~I. Бифлуорофоры линейного строения
Копылова Т.Н.\Самсонова Л.Г.\Светличный В.А.
Изв. вузов. Физ., Vol: 48, No: 2 , published: 13 September 2007
Ab initio calculations and Franck_-~8Condon simulation of the absorption spectra of GeCl[2] including anharmonicity
Mok D.K.W.\Chau F.-T.\Lee E.P.F.\Dyke J.M.
ChemPhysChem., Vol: 6, No: 4 , published: 10 September 2007
Синтез новых функционально-замещенных эфиров м-карборан-1,7-дикарбоновой кислоты
Дикусар Е.А.\Зверева Т.Д.\Козлов Н.Г.\и др.
Ж. общ. химии, Vol: 75, No: 4 , published: 10 September 2007
Полифункциональные производные изоцитозина. Влияние гидратации на прототропную таутомерию 2-(2-гидроксиэтил)амино-6-метил-4-оксопиримидина
Еркин А.В.\Крутиков В.И.
Ж. общ. химии, Vol: 75, No: 4 , published: 10 September 2007
мезо-Фенилтетрабензоазапорфины и их цинковые комплексы. Синтез и спектральные свойства
Галанин Н.Е.\Кудрик Е.В.\Шапошников Г.П.
Ж. общ. химии, Vol: 75, No: 4 , published: 10 September 2007
Structure and analytical potential energy function for the ground state of the BC{x} (x=0, _-1)
Geng Zhen-Duo\Zhang Yan-Song\Fan Xiao-Wei\et al.
Chin. Phys., Vol: 15, No: 6 , published: 10 September 2007
Характеристики гетероассоциатов в системе N,N-диметилформамид_-вода по данным релаксации ЯМР {1}H, рефрактометрии, денсиметрии и акустической спектроскопии
Сухно И.В.\Бузько В.Ю.\Ковалева И.А.\Панюшкин В.Т.
Ж. общ. химии, Vol: 75, No: 9 , published: 10 September 2007
Взаимодействие фенилендиокситригалогенфосфоранов с арилацетиленами. ~V~I~I. Региохимия реакции 2,2,2-трибром-5-галогенбензо_(d_)-1,3,2-диоксафосфолов с арилацетиленами
Миронов В.Ф.\Азанчеев Н.М.\Мусин Р.З.\Коновалов А.И.
Ж. общ. химии, Vol: 75, No: 4 , published: 10 September 2007
Особенности взаимодействия 2-R-бензо_(e_)-1,3,2-диоксафосфорин-4-онов с перфтордиацетилом. Получение и пространственная структура 8-оксо-4,5-бис(трифторметил)-2-(2,2,3,3-тетрафторпропокси)-9,10-бензо-1,3,6,7-тетраокса-2-фосфаспиро_(4.5_)децена-4
Коновалова И.В.\Миронов В.Ф.\Ивкова Г.А.\и др.
Ж. общ. химии, Vol: 75, No: 4 , published: 10 September 2007
Синтез и реакции диметиловых эфиров 2-(2-алкил-1-арил-3-арил-3-оксопропил)малоновой кислоты с аминами
Щепин В.В.\Корзун А.Е.\Порошина Н.Ю.
Ж. общ. химии, Vol: 75, No: 4 , published: 10 September 2007
Смешанное анионарилирование диакрилатов тетраметилен- и диэтиленгликолей
Грищук Б.Д.\Барановский В.С.\Горбовой П.М.
Ж. общ. химии, Vol: 75, No: 4 , published: 10 September 2007
Рентгеновские эмиссионные спектры и электронное строение комплексов _b-дикетонатов палладия
Мазалов Л.Н.\Трубина С.В.\Парыгина Г.К.\и др.
Ж. структур. химии, Vol: 44, No: 6 , published: 06 September 2007
Cages and needles of group 13-15 binary hydrides
Schaumloffel A.\Linnolahti M.\Karttunen A.J.\Pakkanen T.A.
ChemPhysChem., Vol: 8, No: 1 , published: 06 September 2007
Size-dependent structural evolution and chemical reactivity of gold clusters
Yoon B.\Koskinen P.\Huber B.\et al.
ChemPhysChem., Vol: 8, No: 1 , published: 06 September 2007
Квантовохимический анализ координации катиона лития молекулами диметилсульфоксида
Фролов Ю.Л.\Гучик И.В.\Шагун В.А.\и др.
Ж. структур. химии, Vol: 44, No: 6 , published: 06 September 2007
О возможности "спектроскопического" вычисления энергии диссоциации XH-связей многоатомных молекул по частотам фундаментальных колебаний на основе ангармонической колебательной модели
Грибов Л.А.\Новаков И.А.\Павлючко А.И.\Орлинсон Б.С.
Ж. структур. химии, Vol: 44, No: 6 , published: 06 September 2007
"Спектроскопическое" вычисление энергии диссоциации СН-связей этана, пропана, бутана, изобутана, пентана, гексана и неопентана по частотами фундаментальных колебаний
Грибов Л.А.\Новаков И.А.\Павлючко А.И.\и др.
Ж. структур. химии, Vol: 44, No: 6 , published: 06 September 2007
Hyperfine coupling tensors of the benzosemiquinone radical anion from car-parrinello molecular dynamics
Asher J.R.\Kaupp M.
ChemPhysChem., Vol: 8, No: 1 , published: 06 September 2007
Predissociation of state selected Br[2]{+} cations
Vieuxmaire Olivier P.J.\Nix Michael G.D.\Fitzpatrick James A.J.\et al.
Phys. Chem. Chem. Phys., Vol: 6, No: 3 , published: 05 September 2007
Theoretical study of the driving forces in the _a- and _b-cyclodextrin: diclofenac inclusion complexes
Morari C.\Bogdan D.\Bogdan M.
Rom. J. Phys., Vol: 50, No: 9-10 , published: 05 September 2007
Circumstellar calcium chemistry
Petrie Simon
Austral. J. Chem., Vol: 57, No: 1 , published: 05 September 2007
Неэмпирическое изучение структуры и колебательного спектра N-метил-N-(трифторсилилметил)ацетамида
Лазарев И.М.\Ратовский Г.В.\Бродская Э.И.\Лазарева Н.Ф.
Ж. общ. химии, Vol: 74, No: 1 , published: 03 September 2007
Исследования азолов и азинов. ~C~X~I~X. Алкилирование 5,5_"-(4-нитробензилиден)бис(2-тиобарбитуровой) кислоты и 5-(4-нитрофенил)-2,8-дитиоксо-5,7,8,9-тетрагидро-2H-пирано_(2,3-d:6,5-d_"_)-дипиримидин-4,6-(1H,3H)-диона галогенуксусными кислотами и их эфирами
Федорова Е.В.\Мещеряков М.П.\Ганина М.Б.\и др.
Ж. общ. химии, Vol: 74, No: 1 , published: 03 September 2007
Особенности строения силатранов и герматранов
Чернышев Е.А.\Кнзяев С.П.\Кирин В.Н.\и др.
Ж. общ. химии, Vol: 74, No: 1 , published: 03 September 2007
Сольватохромия гетероароматических соединений. ~X~X~I~I. Влияние бифуркационной водородной связи на ИК спектр и дипольный момент N-(4-метил-2-нитрофенил)-ацетамида в растворе
Криворучка И.Г.\Вокин А.И.\Аксаментова Т.Н.\и др.
Ж. общ. химии, Vol: 74, No: 1 , published: 03 September 2007
Квантовохимическое исследование электронного и пространственного строения винилтетразола. ~I. 2-Замещенные 5-винилтетразолы
Ивашкевич О.А.\Матулис Вад.Э.\Матулис Вт.Э.\Гапоник П.Н.
Ж. общ. химии, Vol: 74, No: 1 , published: 03 September 2007
Benchmark RI-MP2 database of nucleic acid base trimers: performance of different density functional models for prediction of structures and binding energies
Kabelac Martin\Valdes Haydee\Sherer Edward C.\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 36 , published: 03 September 2007
Reaction of phenylperoxy radicals with NO2 at 298 K
Jagiella Stefan\Zabel Friedhelm
Phys. Chem. Chem. Phys., Vol: 9, No: 36 , published: 03 September 2007
Реакции 2-алкокси-4-оксо-5,6-ензо-1,3,2-диоксофосфоринанов с иминами. Получение и пространственная структура производных 6,7-бензо-1,4,2-оксазафосфепинов
Миронов В.Ф.\Губайдуллин А.Т.\Бурнаева Л.М.\и др.
Ж. общ. химии, Vol: 74, No: 1 , published: 03 September 2007
Циклобисфосфорилирование 1,7-дигидроксинафталина триамидами фосфористой кислоты
Расадкина Е.Н.\Евдокименкова Ю.Б.\Сташ А.И.\и др.
Ж. общ. химии, Vol: 74, No: 1 , published: 03 September 2007
In situ spectroscopic investigation of heterogeneous catalysts and reaction media at high pressure
Grunwaldt Jan-Dierk\Baiker Alfons
Phys. Chem. Chem. Phys., Vol: 7, No: 20 , published: 02 September 2007
Квантовохимическое изучение специфической сольватации субстратов в жидкофазном гидрировании
Животягина С.Н.\Волкова Т.Г.\Клюев М.В.
Изв. вузов. Химия и хим. технол., Vol: 47, No: 9 , published: 02 September 2007
Квантовохимическое описание региоселективности нитрования замещенных бензолов
Панкратов А.Н.
Изв. вузов. Химия и хим. технол., Vol: 47, No: 9 , published: 02 September 2007
Спектрофотометрическое исследование разнолигандных комплексов титана (~I~V)
Нагнев Х.Д.\Ибадов И.Г.\Чырагов Ф.М.\Гамбаров Д.Г.
Изв. вузов. Химия и хим. технол., Vol: 46, No: 7 , published: 31 August 2007
Measurement of hyperfine splitting of molecular iodine at 532 nm by double-passed acousto optic modulator frequency shifter
Fang Hui-Mei\Wang S.C.\Liu Li-Ch'un\et al.
Jpn. J. Appl. Phys., Part 1, Vol: 44, No: 4A , published: 31 August 2007
The equations for calculation of the degrees of dissociation of weak dibasic organic acids
Kvaratskhelia E.\Kvaratskhelia R.
Bull. Georg. Nat. Acad. Sci., Vol: 173, No: 2 , published: 30 August 2007
The observation of the electronic spectrum of Fe2Cl6 in the gas phase
Hodges Philip J.\Beattie Ian R.\Brown John M.
Phys. Chem. Chem. Phys., Vol: 8, No: 23 , published: 28 August 2007
Gas-phase Watson-Crick and hoogsteen isomers of the nucleobase mimic 9-methyladenine~x2-pyridone
Frey Jann A.\Leist Roman\Muller Andreas\Leutwyler Samuel
ChemPhysChem., Vol: 7, No: 7 , published: 28 August 2007
Квантово-химическое исследование структуры и каталитической активности бис(феноксииминных) комплексов титана и циркония
Якиманский А.В.\Иванчев С.С.
Докл. РАН, Vol: 410, No: 2 , published: 28 August 2007
How accurate is the CASPT2 method?
Azizi Zahra\Roos Bjorn O.\Veryazov Valera
Phys. Chem. Chem. Phys., Vol: 8, No: 23 , published: 28 August 2007
Conformations of σ-aminobutyric acid in the gas phase
Cocinero Emilio J.\Lesarri Alberto\Sanz M. Eugenia\et al.
ChemPhysChem., Vol: 7, No: 7 , published: 28 August 2007
An NMR and relativistic DFT investigation of one-bond nuclear spin-spin coupling in solid triphenyl group-14 chlorides
Willans Mathew J.\Demko Bryan A.\Wasylishen Roderick E.
Phys. Chem. Chem. Phys., Vol: 8, No: 23 , published: 28 August 2007
Spin polarization effect for Fe[2] molecule
Yan Shi-Ying\Zhu Zheng-He
Chin. Phys., Vol: 15, No: 7 , published: 24 August 2007
Molecular dynamics modelling of adsorption of HEDP on calcite surface
Xu Jing
Acta phys. sin., Vol: 55, No: 3 , published: 23 August 2007
Синтез длинноцепных азометинов, содержащих простые и сложноэфирные группы, конденсацией ванилина, ванилаля, их сложных эфиров с октадециламином
Дикусар Е.А.\Поткин В.И.\Козлов Н.Г.\Ювченко А.П.
Ж. общ. химии, Vol: 76, No: 9 , published: 20 August 2007
Квантовохимическое и корреляционное исследование таутомерии и ионизации 1,4,5,8-тетрагидрокси-9,10-антрахинона и его алкилзамещенных
Файн В.Я.\Зайцев Б.Е.\Рябов М.А.
Ж. общ. химии, Vol: 76, No: 9 , published: 20 August 2007
Синтез, строение и сольватохромия мероцианиновых красителей _- производных барбитуровой кислоты
Кулинич А.В.\Деревянко Н.А.\Ищенко А.А.
Ж. общ. химии, Vol: 76, No: 9 , published: 20 August 2007
Исследование основных свойств трет-бутилзамещенных трибензо(1,2,5-тиадиазоло)порфиразинов
Габеркорн А.А.\Попкова И.А.\Стужин П.А.\Эрколани К.
Ж. общ. химии, Vol: 76, No: 9 , published: 20 August 2007
Palladium(~I~I) and palladium(~I~I)_-platinum(~I~I) mixed metal complexes with mercapto-1,3,4-thiadiazolate
Tannai Hidenori\Tsuge Kiyoshi\Sasaki Yoichi
Bull. Chem. Soc. Jpn., Vol: 79, No: 8 , published: 20 August 2007
Изучение строения молекул и газофазного радикальн