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   Atoms and molecules.
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
Formic acid catalyzed isomerization of protonated cytosine: a lower barrier reaction for tautomer production of potential biological importance
Lingxia Jin, Mengdan Lv, Mengting Zhao, Rui Wang, Caibin Zhao, Jiufu Lu, Ling Wang, Wenliang Wang and Yawen Wei
Phys. Chem. Chem. Phys., Vol: 19, No: 21 , published: 13 June 2018
Precision mass ratio of 3He+ to HD+
S. Hamzeloui, J. A. Smith, D. J. Fink, and E. G. Myers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 27 December 2017
Precision mass ratio of He+3 to HD+
S. Hamzeloui, J. A. Smith, D. J. Fink, and E. G. Myers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 27 December 2017
Excitonlike exchange in two-photon transitions of pairs of cold Rb Rydberg atoms
Jeonghun Lee, Phatthamon Kongkhambut, and T. F. Gallagher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 26 December 2017
Mode coupling and multiquantum vibrational excitations in Feshbach-resonant positron annihilation in molecules
G. F. Gribakin, J. F. Stanton, J. R. Danielson, M. R. Natisin, and C. M. Surko
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 22 December 2017
Low-energy electron-impact dissociative excitation of molecular hydrogen and its isotopologues
Liam H. Scarlett, Jonathan K. Tapley, Dmitry V. Fursa, Mark C. Zammit, Jeremy S. Savage, and Igor Bray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 21 December 2017
Long-lived complexes and signatures of chaos in ultracold K2+Rb collisions
J. F. E. Croft, N. Balakrishnan, and B. K. Kendrick
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 18 December 2017
Visible transitions in Ag-like and Cd-like lanthanide ions
Shunichi Murata, Takayuki Nakajima, Marianna S. Safronova, Ulyana I. Safronova, and Nobuyuki Nakamura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 15 December 2017
Using the carrier-envelope phase to control strong-field dissociation of HeH+ at midinfrared wavelengths
D. Ursrey and B. D. Esry
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 14 December 2017
Ground-state hyperfine splitting for Rb, Cs, Fr, Ba+, and Ra+
J. S. M. Ginges, A. V. Volotka, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 12 December 2017
Isotopic effects in the interaction of O with D2 and H2 at low temperatures
Radek Plašil, Thuy Dung Tran, Štěpán Roučka, Pavol Jusko, Dmytro Mulin, Illia Zymak, Serhiy Rednyk, Artem Kovalenko, Petr Dohnal, Juraj Glosík, Karel Houfek, Jiří Táborský, and Martin Čížek
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 07 December 2017
Beyond-Born-Oppenheimer effects in sub-kHz-precision photoassociation spectroscopy of ytterbium atoms
Mateusz Borkowski, Alexei A. Buchachenko, Roman Ciuryło, Paul S. Julienne, Hirotaka Yamada, Yuu Kikuchi, Kakeru Takahashi, Yosuke Takasu, and Yoshiro Takahashi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 06 December 2017
Beyond-Born-Oppenheimer effects in sub-kHz-precision photoassociation spectroscopy of ytterbium atoms
Mateusz Borkowski, Alexei A. Buchachenko, Roman Ciuryło, Paul S. Julienne, Hirotaka Yamada, Yuu Kikuchi, Kakeru Takahashi, Yosuke Takasu, and Yoshiro Takahashi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 06 December 2017
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
Publisher's Note: Electron-impact ionization of Ne(2p) and Ar(3p) at intermediate energies: Role of the postcollision interaction [Phys. Rev. A 96, 052701 (2017)]
Xiaoqing Hu, Cong-Zhang Gao, Zhanbin Chen, Jianguo Wang, Yong Wu, and Yang Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 06 December 2017
Resonant two- or three-photon ionization of noble-gas atoms captured by time-resolved photoelectron momentum spectroscopy
Mitsuko Murakami and G. P. Zhang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 6 , published: 01 December 2017
Magnetic-field- and hyperfine-induced P03S01 transitions in Be- and Ne-like ions
Wenxian Li, Per Jönsson, Tomas Brage, and Roger Hutton
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 28 November 2017
Variational treatment of electron–polyatomic-molecule scattering calculations using adaptive overset grids
Loren Greenman, Robert R. Lucchese, and C. William McCurdy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 27 November 2017
Double-differential cross section for ionization of H2O molecules by 4-MeV/u C6+ and Si13+ ions
Shamik Bhattacharjee, S. Biswas, J. M. Monti, R. D. Rivarola, and L. C. Tribedi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 27 November 2017
Precision measurement of the Mg+25 ground-state hyperfine constant
Z. T. Xu, K. Deng, H. Che, W. H. Yuan, J. Zhang, and Z. H. Lu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 21 November 2017
Angle-differential elastic electron scattering off Mn
V. K. Dolmatov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 20 November 2017
Dynamical resonant neutralization of low-energy Na+ ions scattered from Au(111), Pd(111), Cu(111), and Cu(110) surfaces
Lei Gao, Yachao Zhu, Yuanqing Shi, Pinyang Liu, Yunqing Xiao, Guopeng Li, Yiran Liu, Vladimir A. Esaulov, Ximeng Chen, Lin Chen, and Yanling Guo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 20 November 2017
Two-dimensional magneto-optical trap as a source for cold strontium atoms
Ingo Nosske, Luc Couturier, Fachao Hu, Canzhu Tan, Chang Qiao, Jan Blume, Y. H. Jiang, Peng Chen, and Matthias Weidemüller
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 15 November 2017
Analytical estimates of attosecond streaking time delay in photoionization of atoms
C. Goldsmith, J. Su, A. Becker, and A. Jaroń-Becker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 13 November 2017
Single- and double-electron transfer in low- and intermediate-energy C4+ + He collisions
J. W. Gao, Y. Wu, N. Sisourat, J. G. Wang, and A. Dubois
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 13 November 2017
Angle-resolved Wigner time delay in atomic photoionization: The 4d subshell of free and confined Xe
A. Mandal, P. C. Deshmukh, A. S. Kheifets, V. K. Dolmatov, and S. T. Manson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 09 November 2017
Effects of autoionization in electron loss from heliumlike highly charged ions in fast collisions with atomic particles
K. N. Lyashchenko, O. Yu. Andreev, and A. B. Voitkiv
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 08 November 2017
Model-averaging of ab initio spectra for the absolute configuration assignment via vibrational circular dichroism
Guglielmo Monaco, Francesco Aquino, Riccardo Zanasi, Wouter Herrebout, Patrick Bultinck and Antonio Massa
Phys. Chem. Chem. Phys., Vol: 19, No: 41 , published: 07 November 2017
Attractive PH⋯HP interactions revealed by state-of-the-art ab initio calculations
Sirous Yourdkhani, Mirosław Jabłoński and Jorge Echeverría
Phys. Chem. Chem. Phys., Vol: 19, No: 41 , published: 07 November 2017
Hydrogen bond and lifetime dynamics in diluted alcohols
Evgeniia Salamatova, Ana V. Cunha, Keisuke Shinokita, Thomas L. C. Jansen and Maxim S. Pshenichnikov
Phys. Chem. Chem. Phys., Vol: 19, No: 41 , published: 07 November 2017
Weak C–H⋯F–C hydrogen bonds make a big difference in graphane/fluorographane and fluorographene/fluorographane bilayers
Minglei Sun, Jyh-Pin Chou, Yiming Zhao, Jin Yu and Wencheng Tang
Phys. Chem. Chem. Phys., Vol: 19, No: 41 , published: 07 November 2017
Temperature dependence of the hydrogen bond network in trimethylamine N-oxide and guanidine hydrochloride–water solutions
Felix Lehmkühler, Yury Forov, Mirko Elbers, Ingo Steinke, Christoph J. Sahle, Christopher Weis, Naruki Tsuji, Masayoshi Itou, Yoshiharu Sakurai, Agnieszka Poulain and Christian Sternemann
Phys. Chem. Chem. Phys., Vol: 19, No: 41 , published: 07 November 2017
Quantum and quasiclassical trajectory studies of rotational relaxation in Ar–N2+ collisions
Otoniel Denis-Alpizar, Oliver T. Unke, Raymond J. Bemish and Markus Meuwly
Phys. Chem. Chem. Phys., Vol: 19, No: 41 , published: 07 November 2017
Electronic-state interference in the C 1s excitation and decay of methyl chloride studied by angularly resolved Auger spectroscopy
S. Nandi, C. Nicolas, A. N. Artemyev, N. M. Novikovskiy, C. Miron, J. D. Bozek, and Ph. V. Demekhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 03 November 2017
Electron-impact ionization of Ne(2p) and Ar(3p) at intermediate energies: Role of the postcollision interaction
Xiaoqing Hu, Cong-Zhang Gao, Zhanbin Chen, Jianguo Wang, Yong Wu, and Yang Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 5 , published: 03 November 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
Proton relays in anomalous carbocations dictate spectroscopy, stability, and mechanisms: case studies on C2H5+ and C3H3+
LeeAnn M. Sager and Srinivasan S. Iyengar
Phys. Chem. Chem. Phys., Vol: 19, No: 40 , published: 28 October 2017
Intermolecular magnetic interactions in stacked DNA base pairs
Fernando A. Martínez and Gustavo A. Aucar
Phys. Chem. Chem. Phys., Vol: 19, No: 40 , published: 28 October 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
Radicals derived from acetaldehyde and vinyl alcohol
Marissa L. Estep, W. James Morgan, Alexander T. Winkles, Adam S. Abbott, Nery Villegas-Escobar, J. Wayne Mullinax, Walter E. Turner, Xiao Wang, Justin M. Turney and Henry F. Schaefer
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
Noble gas bond and the behaviour of XeO3 under pressure
Chunju Hou, Xianlong Wang, Jorge Botana and Maosheng Miao
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
Relativistic configuration-interaction calculations of the energy levels of the 1s22l and 1s2l2l states in lithiumlike ions: Carbon through chlorine
V. A. Yerokhin, A. Surzhykov, and A. Müller
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 26 October 2017
Fully differential cross sections for singly ionizing 1-MeV p+He collisions at small momentum transfer: Beyond the first Born approximation
O. Chuluunbaatar, S. A. Zaytsev, K. A. Kouzakov, A. Galstyan, V. L. Shablov, and Yu. V. Popov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 26 October 2017
Calculated cross sections for elastic scattering of slow positrons by silane
Alessandra Souza Barbosa and Márcio H. F. Bettega
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 26 October 2017
Multiple Auger decay probabilities of neon from the 1s-core-hole state
Yulong Ma, Fuyang Zhou, Ling Liu, and Yizhi Qu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 19 October 2017
Deep learning and the Schrödinger equation
Kyle Mills, Michael Spanner, and Isaac Tamblyn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 18 October 2017
Relativistic R-matrix calculations for the electron-impact excitation of neutral molybdenum
R. T. Smyth, C. A. Johnson, D. A. Ennis, S. D. Loch, C. A. Ramsbottom, and C. P. Ballance
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 18 October 2017
Coulomb-explosion imaging of concurrent CH2BrI photodissociation dynamics
Michael Burt et al.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 17 October 2017
Nuclear dynamics in a positron-CO collision using close-coupling methods
T. Mukherjee
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 17 October 2017
Electron scattering by the hydrocarbons C4H6,C5H8, and C6H10
Matheus B. Kiataki, Diego F. Pastega, and Márcio H. F. Bettega
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 17 October 2017
Electric field controllable magnetic coupling of localized spins mediated by itinerant electrons: a toy model
Andrew Palii, Sergey Aldoshin, Boris Tsukerblat, Juan Modesto Clemente-Juan, Alejandro Gaita-Ariño and Eugenio Coronado
Phys. Chem. Chem. Phys., Vol: 19, No: 38 , published: 14 October 2017
General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory
Loïc M. Roch and Kim K. Baldridge
Phys. Chem. Chem. Phys., Vol: 19, No: 38 , published: 14 October 2017
Symmetry and dynamics of FHF anion in vacuum, in CD2Cl2 and in CCl4Ab initio MD study of fluctuating solvent–solute hydrogen and halogen bonds
S. A. Pylaeva, H. Elgabarty, D. Sebastiani and P. M. Tolstoy
Phys. Chem. Chem. Phys., Vol: 19, No: 38 , published: 14 October 2017
Long-range magnetic response of toroidal boron structures: B16 and [Co@B16]−/3− species
Alvaro Muñoz-Castro, Ivan A. Popov and Alexander I. Boldyrev
Phys. Chem. Chem. Phys., Vol: 19, No: 38 , published: 14 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
Bonding and spectroscopic analyses of N2O–CS2and N2O–OCS heterodimer complexes and their atmospheric consequences
Samiyara Begum and Ranga Subramanian
Phys. Chem. Chem. Phys., Vol: 19, No: 38 , published: 14 October 2017
Multiconfiguration calculations of electronic isotope-shift factors in Zn i
Livio Filippin, Jacek Bieroń, Gediminas Gaigalas, Michel Godefroid, and Per Jönsson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 12 October 2017
Inelastic losses in radio-frequency-dressed traps for ultracold atoms
Daniel J. Owens and Jeremy M. Hutson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 12 October 2017
Theoretical study of (e, 2e) processes for valence orbitals of CH4 using a multicenter distorted-wave method
Maomao Gong, Xingyu Li, Song Bin Zhang, Ling Liu, Yong Wu, Jianguo Wang, Yizhi Qu, and Xiangjun Chen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 11 October 2017
Characterizing Feshbach resonances in ultracold scattering calculations
Matthew D. Frye and Jeremy M. Hutson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 11 October 2017
Electron-impact-ionization dynamics of SF6
James N. Bull, Jason W. L. Lee, and Claire Vallance
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 11 October 2017
Fast and accurate prediction of proton affinities: revisiting the extended Koopmans' theorem for protonsv
Laura Pedraza-González, Jorge Charry, William Quintero, Jorge Alí-Torres and Andrés Reyes
Phys. Chem. Chem. Phys., Vol: 19, No: 37 , published: 07 October 2017
Solvation of Li+ by argon: how important are three-body forces?
Frederico V. Prudente, Jorge M. C. Marques and Francisco B. Pereira
Phys. Chem. Chem. Phys., Vol: 19, No: 37 , published: 07 October 2017
Excited state dynamics of symmetric and asymmetric Cr3(dpa)4Cl2 measured using femtosecond transient absorption spectroscopy
Chao-Han Cheng, Wen-Zhen Wang, Shie-Ming Peng and I-Chia Chen
Phys. Chem. Chem. Phys., Vol: 19, No: 37 , published: 07 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
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
Fragmentation of KrN+ clusters after electron impact ionization II. Long-time dynamics simulations of Kr7+ evolution and the role of initial electronic excitation
Ivan Janeček, Martin Stachoň, Florent Xavier Gadea and René Kalus
Phys. Chem. Chem. Phys., Vol: 19, No: 37 , published: 07 October 2017
Unravelling hydrogen bonding interactions of tryptamine–water dimer from neutral to cation
Zongyuan Liu, Carl O. Trindle, Quanli Gu, Wei Wu and Peifeng Su
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
Infrared spectroscopy of O˙ and OH in water clusters: evidence for fast interconversion between O˙ and OH˙OH
Jozef Lengyel, Milan Ončák, Andreas Herburger, Christian van der Linde and Martin K. Beyer
Phys. Chem. Chem. Phys., Vol: 19, No: 37 , published: 07 October 2017
Investigating the electronic properties and structural features of MgH and of MgH anions
L. González-Sánchez, S. Gómez-Carrasco, A. M. Santadaría, F. A. Gianturco, and R. Wester
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 06 October 2017
Observation of the motional Stark shift in low magnetic fields
Manuel Kaiser, Jens Grimmel, Lara Torralbo-Campo, Markus Mack, Florian Karlewski, Florian Jessen, Nils Schopohl, and József Fortágh
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 4 , published: 02 October 2017
Theoretical prediction of the fine and hyperfine structure of heavy muonic atoms
Niklas Michel, Natalia S. Oreshkina, and Christoph H. Keitel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 28 September 2017
Hyperfine splitting in simple ions for the search of the variation of fundamental constants
Natalia S. Oreshkina, Stefano M. Cavaletto, Niklas Michel, Zoltán Harman, and Christoph H. Keitel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 27 September 2017
Time-dependent vibrational spectral analysis of first principles trajectory of methylamine with wavelet transform
Sohag Biswas and Bhabani S. Mallik
Phys. Chem. Chem. Phys., Vol: 19, No: 15 , published: 26 September 2017
Observation of collisions between cold Li atoms and Yb+ ions
J. Joger, H. Fürst, N. Ewald, T. Feldker, M. Tomza, and R. Gerritsma
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 25 September 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
Wheel-like, elongated, circular, and linear geometries in boron-based CnB7−n (n = 0–7) clusters: structural transitions and aromaticity
Lin-Yan Feng and Hua-Jin Zhai
Phys. Chem. Chem. Phys., Vol: 19, No: 35 , published: 21 September 2017
A high-resolution natural abundance 33S MAS NMR study of the cementitious mineral ettringite
Akiko Sasaki, Luis Baquerizo Ibarra and Stephen Wimperis
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
Energy of van der Waals and dipole-dipole interactions between atoms in Rydberg states
A. A. Kamenski, N. L. Manakov, S. N. Mokhnenko, and V. D. Ovsiannikov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 21 September 2017
Structural features of monohydrated 2-(4-fluorophenyl)ethylamine: a combined spectroscopic and computational study
Afik Shachar, Nitzan Mayorkas and Ilana Bar
Phys. Chem. Chem. Phys., Vol: 19, No: 35 , published: 21 September 2017
Vibrational nonlinear optical properties of spatially confined weakly bound complexes
Robert Zaleśny, Marta Chołuj, Justyna Kozłowska, Wojciech Bartkowiak and Josep M. Luis
Phys. Chem. Chem. Phys., Vol: 19, No: 35 , published: 21 September 2017
Spectroscopic measurement of the softness of ultracold atomic collisions
Jonathan Coslovsky, Gadi Afek, Alexander Mil, Ido Almog, and Nir Davidson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 19 September 2017
Spectroscopic measurement of the softness of ultracold atomic collisions
Jonathan Coslovsky, Gadi Afek, Alexander Mil, Ido Almog, and Nir Davidson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 19 September 2017
Ab initio calculation of electron-capture cross sections in H++BeH collisions
I. Rabadán, L. Méndez, J. W. Gao, Y. Wu, and J. G. Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 19 September 2017
Relativistic light-shift theory of few-electron systems: Heliumlike highly charged ions
O. Postavaru and A. C. Scafes
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 18 September 2017
Quasiclassical treatment of the Auger effect in slow ion-atom collisions
F. Frémont
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 18 September 2017
Theoretical study of the substituent effect controlling the radiative and non-radiative decay processes of platinum(II) complexes
Wei Shen, Wenting Zhang and Chaoyuan Zhu
Phys. Chem. Chem. Phys., Vol: 19, No: 34 , published: 14 September 2017
Photoelectron spectroscopy of isolated luciferin and infraluciferin anions in vacuo: competing photodetachment, photofragmentation and internal conversion
Joanne L. Woodhouse, Mariana Assmann, Michael A. Parkes, Helen Grounds, Steven J. Pacman, James C. Anderson, Graham A. Worth and Helen H. Fielding
Phys. Chem. Chem. Phys., Vol: 19, No: 34 , published: 14 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
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
Role of intrinsic hydrogen bonds in the assembly of perylene imide derivatives in solution and at the liquid–solid interface
Zongxia Guo, Kun Wang, Ping Yu, Shengyue Zhang, Kai Sun and Zhibo Li
Phys. Chem. Chem. Phys., Vol: 19, No: 34 , published: 14 September 2017
Ergothioneine and related histidine derivatives in the gas phase: tautomer structures determined by IRMPD spectroscopy and theory
Katrin Peckelsen, Jonathan Martens, Lisa Czympiel, Jos Oomens, Giel Berden, Dirk Gründemann, Anthony J. H. M. Meijer and Mathias Schäfer
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
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
A structural study on the excimer state of an isolated benzene dimer using infrared spectroscopy in the skeletal vibration region
Mitsuhiko Miyazaki and Masaaki Fujii
Phys. Chem. Chem. Phys., Vol: 19, No: 34 , published: 14 September 2017
Spin–orbit interaction and Renner–Teller effect in HCCCCH+ studied by high-resolution photoelectron spectroscopy
U. Jacovella and F. Merkt
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
Time-dependent spin-density-functional-theory description of He+-He collisions
Matthew Baxter, Tom Kirchner, and Eberhard Engel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 12 September 2017
Spin polynomial similarity transformation for repulsive Hamiltonians: interpolating between coupled cluster and spin-projected unrestricted Hartree–Fock
John A. Gomez, Matthias Degroote, Jinmo Zhao, Yiheng Qiu and Gustavo E. Scuseria
Phys. Chem. Chem. Phys., Vol: 19, No: 33 , 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
A ground state potential energy surface for HONO based on a neural network with exponential fitting functions
Ekadashi Pradhan and Alex Brown
Phys. Chem. Chem. Phys., Vol: 19, No: 33 , published: 07 September 2017
Polarization gradient cooling of single atoms in optical dipole traps
Yue-Sum Chin, Matthias Steiner, and Christian Kurtsiefer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , 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
Cooperative hydrogen bonds form a pseudocycle stabilizing an isolated complex of isocyanic acid with urea
John C. Mullaney, Chris Medcraft, David P. Tew, Luke Lewis-Borrell, Bernard T. Golding, Nicholas R. Walker and Anthony C. Legon
Phys. Chem. Chem. Phys., Vol: 19, No: 36 , published: 07 September 2017
Less stable tautomers form stronger hydrogen bonds: the case of water complexes
Shmuel Zilberg and Bernhard Dick
Phys. Chem. Chem. Phys., Vol: 19, No: 36 , published: 07 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
Long-range interactions of hydrogen atoms in excited states. III. nS1S interactions for n3
C. M. Adhikari, V. Debierre, and U. D. Jentschura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 05 September 2017
Efficient repumping of a Ca magneto-optical trap
Michael Mills, Prateek Puri, Yanmei Yu, Andrei Derevianko, Christian Schneider, and Eric R. Hudson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 05 September 2017
Analysis of Molecular Configuration and Conformation by (Electronic and) Vibrational Circular Dichroism: Theoretical Calculation and Exciton Chirality Method
Tohru Taniguchi
Bull. Chem. Soc. Jpn., Vol: 90, No: 9 , published: 05 September 2017
Optogalvanic spectroscopy of the hyperfine structure of the 5p65d 2D3/2,5/2 and 5p64f 2F5/2,7/2o levels of La iii
S. Olmschenk, P. R. Banner, J. Hankes, and A. M. Nelson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 3 , published: 01 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
Anharmonic vibrational effects in linear and two-dimensional electronic spectra
Arpa Galestian Pour, Craig Norman Lincoln, Václav Perlík, František Šanda and Jürgen Hauer
Phys. Chem. Chem. Phys., Vol: 19, No: 36 , published: 25 August 2017
Formation of H2+ and H3+ in energetic highly-charged-ion collisions with NH3
Pragya Bhatt, T. Sairam, Ajit Kumar, Herendra Kumar, and C. P. Safvan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 24 August 2017
Hydrophobic fluorine mediated switching of the hydrogen bonding site as well as orientation of water molecules in the aqueous mixture of monofluoroethanol: IR, molecular dynamics and quantum chemical studies
Saptarsi Mondal, Biswajit Biswas, Tonima Nandy and Prashant Chandra Singh
Phys. Chem. Chem. Phys., Vol: 19, No: 36 , published: 21 August 2017
Analyses of sizable ZFS and magnetic tensors of high spin metallocomplexes
Takeshi Yamane, Kenji Sugisaki, Tomoki Nakagawa, Hideto Matsuoka, Takahisa Nishio, Shigemori Kinjyo, Nobuyuki Mori, Satoshi Yokoyama, Chika Kawashima, Naoki Yokokura, Kazunobu Sato, Yuki Kanzaki, Daisuke Shiomi, Kazuo Toyota, David H. Dolphin, Wei-Ching Lin, Charles A. McDowell, Makoto Tadokoro and Takeji Takui
Phys. Chem. Chem. Phys., Vol: 19, No: 36 , published: 18 August 2017
Kinetic-energy release of fragments from electron-impact dissociation of the molecular hydrogen ion and its isotopologues
Liam H. Scarlett, Mark C. Zammit, Dmitry V. Fursa, and Igor Bray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 18 August 2017
Ground-state ionization energies of boronlike ions
A. V. Malyshev, D. A. Glazov, A. V. Volotka, I. I. Tupitsyn, V. M. Shabaev, G. Plunien, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 17 August 2017
Ground-state ionization energies of boronlike ions
A. V. Malyshev, D. A. Glazov, A. V. Volotka, I. I. Tupitsyn, V. M. Shabaev, G. Plunien, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 17 August 2017
Nucleophilicity and electrophilicity of the C(sp3)–H bond: methane and ethane binary complexes with iodine
Alberto Baggioli, Stefano V. Meille and Antonino Famulari
Phys. Chem. Chem. Phys., Vol: 19, No: 36 , published: 17 August 2017
XUV/X-ray light and fast ions for ultrafast chemistry
P. Bolognesi, L. Bañares and M. Alcamí
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
A perspective for investigating photo-induced molecular dynamics from within with femtosecond free electron lasers
Nora Berrah
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Ab initio calculation of inelastic scattering
Andrés Moreno Carrascosa and Adam Kirrander
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
A study of the water molecule using frequency control over nuclear dynamics in resonant X-ray scattering
Vinícius Vaz da Cruz, Emelie Ertan, Rafael C. Couto, Sebastian Eckert, Mattis Fondell, Marcus Dantz, Brian Kennedy, Thorsten Schmitt, Annette Pietzsch, Freddy F. Guimarães, Hans Ågren, Faris Gel'mukhanov, Michael Odelius, Alexander Föhlisch and Victor Kimberg
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Accelerating direct quantum dynamics using graphical processing units
T. J. Penfold
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Dissociation of cyclopropane in double ionization continuum
Shabnam Oghbaie, Mathieu Gisselbrecht, Erik P. Månsson, Joakim Laksman, Christian Stråhlman, Anna Sankari and Stacey L. Sorensen
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Characterization of hydrogen bonding motifs in proteins: hydrogen elimination monitoring by ultraviolet photodissociation mass spectrometry
Lindsay J. Morrison, Wenrui Chai, Jake A. Rosenberg, Graeme Henkelman and Jennifer S Brodbelt
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Knockout driven fragmentation of porphyrins
Linda Giacomozzi, Michael Gatchell, Nathalie de Ruette, Michael Wolf, Giovanna D'Angelo, Henning T. Schmidt, Henrik Cederquist and Henning Zettergren
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Fragmentation of pure and hydrated clusters of 5Br-uracil by low energy carbon ions: observation of hydrated fragments
M. C. Castrovilli, P. Markush, P. Bolognesi, P. Rousseau, S. Maclot, A. Cartoni, R. Delaunay, A. Domaracka, J. Kočišek, B. A. Huber and L. Avaldi
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Gas-phase vibrational spectroscopy of triphenylamine: the effect of charge on structure and spectra
Musleh Uddin Munshi, Giel Berden, Jonathan Martens and Jos Oomens
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Ultrafast structural dynamics of photoexcited adenine
Sayan Mondal and Mrinalini Puranik
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Understanding the influence of low-frequency vibrations on the hydrogen bonds of acetic acid and acetamide dimers
Christopher Copeland, Omkaran Menon, D. Majumdar, Szczepan Roszak and Jerzy Leszczynski
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
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
ac Stark effect in ultracold polar Rb87Cs133 molecules
Philip D. Gregory, Jacob A. Blackmore, Jesus Aldegunde, Jeremy M. Hutson, and Simon L. Cornish
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 11 August 2017
Validation of density functionals for pancake-bonded π-dimers; dispersion is not enough
Zhongyu Mou, Yong-Hui Tian and Miklos Kertesz
Phys. Chem. Chem. Phys., Vol: 19, No: 36 , published: 11 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
He2+ molecular ion and the He atomic ion in strong magnetic fields
J. C. Lopez Vieyra and A. V. Turbiner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 09 August 2017
On the metastability of doubly charged homonuclear diatomics
Felipe Fantuzzi, Thiago M. Cardozo and Marco A. C. Nascimento
Phys. Chem. Chem. Phys., Vol: 19, No: 29 , 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
Vibrational optical activity as probe for intermolecular interactions
Christian Merten
Phys. Chem. Chem. Phys., Vol: 19, No: 29 , 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
Explicit consideration of spatial hydrogen bonding direction for activity coefficient prediction based on implicit solvation calculations
Wei-Lin Chen and Shiang-Tai Lin
Phys. Chem. Chem. Phys., Vol: 19, No: 31 , published: 07 August 2017
Concerted transfer of multiple protons in acid–water clusters: [(HCl)(H2O)]2 and [(HF)(H2O)]4
I. Zakai, M. E. Varner and R. B. Gerber
Phys. Chem. Chem. Phys., Vol: 19, No: 31 , published: 07 August 2017
Solvation of a chiral carboxylic acid: effects of hydrogen bonding on the IR and VCD spectra of α-methoxyphenylacetic acid
Karoline Bünnemann and Christian Merten
Phys. Chem. Chem. Phys., Vol: 19, No: 29 , published: 07 August 2017
The borazine dimer: the case of a dihydrogen bond competing with a classical hydrogen bond
Kanupriya Verma and K. S. Viswanathan
Phys. Chem. Chem. Phys., Vol: 19, No: 29 , published: 07 August 2017
Structural assignment of small cationic silver clusters by far-infrared spectroscopy and DFT calculations
Johan van der Tol, Dewei Jia, Yejun Li, Valeriy Chernyy, Joost M. Bakker, Minh Tho Nguyen, Peter Lievens and Ewald Janssens
Phys. Chem. Chem. Phys., Vol: 19, No: 29 , published: 07 August 2017
The covalently bound diazo group as an infrared probe for hydrogen bonding environments
Min You, Liyuan Liu and Wenkai Zhang
Phys. Chem. Chem. Phys., Vol: 19, No: 29 , published: 07 August 2017
Fingerprints of inter- and intramolecular hydrogen bonding in saligenin–water clusters revealed by mid- and far-infrared spectroscopy
Daniël J. Bakker, Arghya Dey, Daniel P. Tabor, Qin Ong, Jérôme Mahé, Marie-Pierre Gaigeot, Edwin L. Sibert and Anouk M. Rijs
Phys. Chem. Chem. Phys., Vol: 19, No: 31 , published: 07 August 2017
Infrared spectra and anharmonic coupling of proton-bound nitrogen dimers N2–H+–N2, N2–D+–N2, and 15N2–H+15N2 in solid para-hydrogen
Hsin-Yi Liao, Masashi Tsuge, Jake A. Tan, Jer-Lai Kuo and Yuan-Pern Lee
Phys. Chem. Chem. Phys., Vol: 19, No: 31 , published: 07 August 2017
Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods
Deping Hu, Yan Fang Liu, Andrzej L. Sobolewski and Zhenggang Lan
Phys. Chem. Chem. Phys., Vol: 19, No: 29 , published: 07 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
Zeeman interaction in the Δ13 state of HfF+ to search for the electron electric dipole moment
A. N. Petrov, L. V. Skripnikov, and A. V. Titov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 04 August 2017
Photoionization using the xchem approach: Total and partial cross sections of Ne and resonance parameters above the 2s22p5 threshold
Carlos Marante, Markus Klinker, Tor Kjellsson, Eva Lindroth, Jesús González-Vázquez, Luca Argenti, and Fernando Martín
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 04 August 2017
Time-resolved measurement of internal conversion dynamics in strong-field molecular ionization
Vincent Tagliamonti, Brian Kaufman, Arthur Zhao, Tamás Rozgonyi, Philipp Marquetand, and Thomas Weinacht
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 02 August 2017
Ionic dynamics underlying strong-field dissociative molecular ionization
Arthur Zhao, Péter Sándor, Vincent Tagliamonti, Tamás Rozgonyi, Philipp Marquetand, and Thomas Weinacht
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 02 August 2017
Detailed assignment of normal and resonant Auger spectra of Xe near the L edges
R. Püttner, K. Jänkälä, R. K. Kushawaha, T. Marchenko, G. Goldsztejn, O. Travnikova, R. Guillemin, L. Journel, I. Ismail, B. Cunha de Miranda, A. F. Lago, D. Céolin, M. N. Piancastelli, and M. Simon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 2 , published: 01 August 2017
Absolute cross section for electron-impact ionization of He(1s2sS3)
Matthieu Génévriez, Jozo J. Jureta, Pierre Defrance, and Xavier Urbain
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 31 July 2017
Modeling cooperative effects in halogen-bonded infinite linear chains
Francisco Adasme-Carreño, Jans Alzate-Morales and Joel Ireta
Phys. Chem. Chem. Phys., Vol: 19, No: 28 , published: 28 July 2017
Aromaticity and antiaromaticity of substituted fulvene derivatives: perspectives from the information-theoretic approach in density functional reactivity theory
Donghai Yu, Chunying Rong, Tian Lu, Pratim K. Chattaraj, Frank De Proft and Shubin Liu
Phys. Chem. Chem. Phys., Vol: 19, No: 28 , published: 28 July 2017
Correction: Experimental and theoretical investigations of infrared multiple photon dissociation spectra of glutamic acid complexes with Zn2+ and Cd2+
Georgia C. Boles, Cameron J. Owen, Giel Berden, Jos Oomens and P. B. Armentrout
Phys. Chem. Chem. Phys., Vol: 19, No: 28 , published: 28 July 2017
Photodissociation of CH3CHO at 248 nm: identification of the channels of roaming, triple fragmentation and the transition state
Yong-Chang Han, Po-Yu Tsai, Joel M. Bowman and King-Chuen Lin
Phys. Chem. Chem. Phys., Vol: 19, No: 28 , published: 28 July 2017
Correction: Insulin dimer dissociation and unfolding revealed by amide I two-dimensional infrared spectroscopy
Ziad Ganim, Kevin C. Jones and Andrei Tokmakoff
Phys. Chem. Chem. Phys., Vol: 19, No: 28 , published: 28 July 2017
B–H⋯π: a nonclassical hydrogen bond or dispersion contact?
Jindřich Fanfrlík, Adam Pecina, Jan Řezáč, Robert Sedlak, Drahomír Hnyk, Martin Lepšík and Pavel Hobza
Phys. Chem. Chem. Phys., Vol: 19, No: 28 , published: 28 July 2017
Production and decay of K-shell hollow krypton in collisions with 52–197-MeV/u bare xenon ions
Caojie Shao, Deyang Yu, Xiaohong Cai, Xi Chen, Kun Ma, Jarah Evslin, Yingli Xue, Wei Wang, Yury S. Kozhedub, Rongchun Lu, Zhangyong Song, Mingwu Zhang, Junliang Liu, Bian Yang, Yipan Guo, Jianming Zhang, Fangfang Ruan, Yehong Wu, Yuezhao Zhang, Chenzhong Dong, Ximeng Chen, and Zhihu Yang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 28 July 2017
>Resonances in low-energy electron scattering from para-benzoquinone
Alexandra Loupas and Jimena D. Gorfinkiel
Phys. Chem. Chem. Phys., Vol: 19, No: 28 , published: 28 July 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
Chiroptical properties of cryptophane-111
Thierry Buffeteau, Delphine Pitrat, Nicolas Daugey, Nathalie Calin, Marion Jean, Nicolas Vanthuyne, Laurent Ducasse, Frank Wien and Thierry Brotin
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
Domination of dissociative double-electron excitation over dissociative single-electron excitation in electron collisions with NH3
Kouichi Hosaka, Kai Minamizaki, Toshinori Tsuchida, Kazufumi Yachi, Takeshi Odagiri, Takuro Maeda, Masashi Kitajima, and Noriyuki Kouchi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 24 July 2017
The gas-phase structure of dimethyl peroxide
Olfa Ferchichi, Najoua Derbel, Nejm-Eddine Jaidane, Thibaud Cours and Alexander Alijah
Phys. Chem. Chem. Phys., Vol: 19, No: 32 , published: 24 July 2017
Understanding water structure from Raman spectra of isotopic substitution H2O/D2O up to 573 K
Qingcheng Hu, Haiwen Zhao and Shunli Ouyang
Phys. Chem. Chem. Phys., Vol: 19, No: 32 , published: 24 July 2017
Theoretical study of the hyperfine-interaction constants and the isotope-shift factors for the 3s21S03s3p3,1P1o transitions in Al+
Tingxian Zhang, Luyou Xie, Jiguang Li, and Zehuang Lu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 21 July 2017
Experimental and theoretical study of the double-core-hole hypersatellite Auger spectrum of Ne
G. Goldsztejn, R. Püttner, L. Journel, R. Guillemin, O. Travnikova, B. Cunha de Miranda, I. Ismail, S. Carniato, P. Selles, D. Céolin, A. F. Lago, R. Feifel, P. Lablanquie, F. Penent, M. N. Piancastelli, M. Simon, and T. Marchenko
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 19 July 2017
Kinetic energy distribution of OH+ from water fragmentation by electron impact
Natalia Ferreira, L. Sigaud, and E. C. Montenegro
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 18 July 2017
4d-inner-shell ionization of Xe+ ions and subsequent Auger decay
M. A. Khalal, P. Lablanquie, L. Andric, J. Palaudoux, F. Penent, K. Bučar, M. Žitnik, R. Püttner, K. Jänkälä, D. Cubaynes, S. Guilbaud, and J.-M. Bizau
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 14 July 2017
Interspecies thermalization in an ultracold mixture of Cs and Yb in an optical trap
A. Guttridge, S. A. Hopkins, S. L. Kemp, Matthew D. Frye, Jeremy M. Hutson, and Simon L. Cornish
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 14 July 2017
Advances in spectroscopy and dynamics of small and medium sized molecules and clusters
Majdi Hochlaf
Phys. Chem. Chem. Phys., Vol: 19, No: 32 , published: 13 July 2017
Rotationally resolved electronic spectroscopy of the rotamers of 1,3-dimethoxybenzene
Michael Schneider, Martin Wilke, Marie-Luise Hebestreit, José Arturo Ruiz-Santoyo, Leonardo Álvarez-Valtierra, John T. Yi, W. Leo Meerts, David W. Pratt and Michael Schmitt
Phys. Chem. Chem. Phys., Vol: 19, No: 32 , published: 13 July 2017
Theoretical study of the g factor and lifetime of the 6s6pP03 state of mercury
S. G. Porsev, U. I. Safronova, and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 13 July 2017
Chiroptical inversion for isolated vibronic transitions of supersonic beam-cooled molecules
Jörn Lepelmeier, José Lorenzo Alonso-Gómez, Farinaz Mortaheb, Ulrich Boesl, Ulrich Heiz and Aras Kartouzian
Phys. Chem. Chem. Phys., Vol: 19, No: 32 , published: 13 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
Long-lived excited states in metal clusters
Alexander Koop, Gerd Gantefoer and Young Dok Kim
Phys. Chem. Chem. Phys., Vol: 19, No: 32 , published: 13 July 2017
Correction: Structural characterization of gas-phase cysteine and cysteine methyl ester complexes with zinc and cadmium dications by infrared multiple photon dissociation spectroscopy
Rebecca A. Coates, Christopher P. McNary, Georgia C. Boles, Giel Berden, Jos Oomens and P. B. Armentrout
Phys. Chem. Chem. Phys., Vol: 19, No: 28 , published: 13 July 2017
L-shell photoionization of Mn5+ to Mn8+ ions
C. Blancard, D. Cubaynes, S. Guilbaud, and J.-M. Bizau
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 12 July 2017
Photoelectron distribution of nonresonant two-photon ionization of neutral atoms
J. Hofbrucker, A. V. Volotka, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 11 July 2017
Orientation dependence in multichannel dissociative ionization of OCS molecules
Yusuke Sakemi, Shinichirou Minemoto, and Hirofumi Sakai
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 11 July 2017
Three-body fragmentation of multiply charged nitrous oxide induced by Ar8+- and Xe15+-ion impact
Arnab Khan, Lokesh C. Tribedi, and Deepankar Misra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 11 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
КВАНТОВО-ХИМИЧЕСКОЕ ИССЛЕДОВАНИЕ СТРУКТУРЫ И ДИНАМИЧЕСКОГО ПОВЕДЕНИЯ ТРИКАРБОНИЛЬНЫХ КОМПЛЕКСОВ МЕТАЛЛОВ 6-Й ГРУППЫ (CR, MO, W) C ПОЛИАРОМАТИЧЕСКИМИ УГЛЕВОДОРОДАМИ МЕТОДОМ ФУНКЦИОНАЛА ПЛОТНОСТИ
Жуляев Н.С., Глориозов И.П., Опруненко Ю.Ф., Сайллард Ж.И.
Изв. РАН. Сер. хим., Vol: 2017, No: 7 , published: 10 July 2017
Kinematical vortices in double photoionization of helium by attosecond pulses
J. M. Ngoko Djiokap, A. V. Meremianin, N. L. Manakov, S. X. Hu, L. B. Madsen, and Anthony F. Starace
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 07 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
Attosecond transient absorption spectroscopy of helium above the N=2 ionization threshold
C. L. M. Petersson, Luca Argenti, and Fernando Martín
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 06 July 2017
СТЕРЕОХИМИЯ КОМПЛЕКСОВ ХРОМА С МОНОЗАМЕЩЕННЫМИ АЛЛЕНАМИ
Кривых В.В., Тайц Е.С., Петровский П.В.
Изв. РАН. Сер. хим., Vol: 2017, No: 7 , published: 06 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
Auger decay of 4d inner-shell holes in atomic Hg leading to triple ionization
J. Andersson, R. Beerwerth, A. Hult Roos, R. J. Squibb, R. Singh, S. Zagorodskikh, O. Talaee, D. Koulentianos, J. H. D. Eland, S. Fritzsche, and R. Feifel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 05 July 2017
Measurement of the 4S1/26S1/2 transition frequency in atomic potassium via direct frequency-comb spectroscopy
J. E. Stalnaker, H. M. G. Ayer, J. H. Baron, A. Nuñez, and M. E. Rowan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 05 July 2017
Angle-resolved x-ray spectroscopic scheme to determine overlapping hyperfine splittings in highly charged heliumlike ions
Z. W. Wu, A. V. Volotka, A. Surzhykov, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 96, No: 1 , published: 05 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
Vibrational frequencies and spectroscopic constants of three, stable noble gas molecules: NeCCH+, ArCCH+, and ArCN+
Carlie M. Novak and Ryan C. Fortenberry
Phys. Chem. Chem. Phys., Vol: 19, No: 7 , published: 01 July 2017
Comparison of tetrel bonds in neutral and protonated complexes of pyridineTF3 and furanTF3 (T = C, Si, and Ge) with NH3
Mingxiu Liu, Qingzhong Li and Steve Scheiner
Phys. Chem. Chem. Phys., Vol: 19, No: 7 , published: 01 July 2017
Spectroscopic and microscopic investigations of tautomerization in porphycenes: condensed phases, supersonic jets, and single molecule studies
P. Fita, L. Grill, A. Listkowski, H. Piwoński, S. Gawinkowski, M. Pszona, J. Sepioł, E. Mengesha, T. Kumagai and J. Waluk
Phys. Chem. Chem. Phys., Vol: 19, No: 7 , published: 01 July 2017
Probing the origins of vibrational mode specificity in intramolecular dynamics through picosecond time-resolved photoelectron imaging studies
Julia A. Davies, Laura E. Whalley and Katharine L. Reid
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
Isotope shift and search for metastable superheavy elements in astrophysical data
V. A. Dzuba, V. V. Flambaum, and J. K. Webb
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 30 June 2017
Significance of distinct electron-correlation effects in determining the (P,T)-odd electric dipole moment of Yb171
B. K. Sahoo and Yashpal Singh
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 29 June 2017
Angular-momentum transfer due to postcollision interaction in atomic inner ns2 -shell photoionization
L. Gerchikov, R. Guillemin, M. Simon, and S. Sheinerman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 29 June 2017
Two-center interference in the ionization of H2 by ion impact: Comparison of different models
L. Czipa and L. Nagy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 29 June 2017
Ionization energies and electron affinities from a random-phase-approximation many-body Green's-function method including exchange interactions
Andreas Heßelmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 28 June 2017
Is there any fundamental difference between ionic, covalent, and others types of bond? A canonical perspective on the question
Jay R. Walton, Luis A. Rivera-Rivera, Robert R. Lucchese and John W. Bevan
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
Ethylperoxy radical: approaching spectroscopic accuracy via coupled-cluster theory
Andrew M. Launder, Justin M. Turney, Jay Agarwal and Henry F. Schaefer
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
On the structures, spin states, and optical properties of titanium, platinum, and iron azacalixphyrins: a DFT study
Gabriel Marchand, Olivier Siri and Denis Jacquemin
Phys. Chem. Chem. Phys., Vol: 19, No: 24 , published: 28 June 2017
Fermi resonance as a means to determine the hydrogen-bonding status of two infrared probes
Jeffrey M. Rodgers, Rachel M. Abaskharon, Bei Ding, Jianxin Chen, Wenkai Zhang and Feng Gai
Phys. Chem. Chem. Phys., Vol: 19, No: 24 , published: 28 June 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
Electron-correlation effects in the g factor of light Li-like ions
V. A. Yerokhin, K. Pachucki, M. Puchalski, Z. Harman, and C. H. Keitel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 27 June 2017
Valence-electron correlation in the double K-shell photoionization of atomic beryllium
Hari P. Saha
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 27 June 2017
Relativistic corrections for non-Born-Oppenheimer molecular wave functions expanded in terms of complex explicitly correlated Gaussian functions
Sergiy Bubin, Monika Stanke, and Ludwik Adamowicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 26 June 2017
Anisotropic optical trapping as a manifestation of the complex electronic structure of ultracold lanthanide atoms: The example of holmium
Hui Li, Jean-François Wyart, Olivier Dulieu, and Maxence Lepers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 26 June 2017
Cold collisions of heavy Σ2 molecules with alkali-metal atoms in a magnetic field: Ab initio analysis and prospects for sympathetic cooling of SrOH(Σ+2) by Li(S2)
Masato Morita, Jacek Kłos, Alexei A. Buchachenko, and Timur V. Tscherbul
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 26 June 2017
Computing distance distributions from dipolar evolution data with overtones: RIDME spectroscopy with Gd(III)-based spin labels
Katharina Keller, Valerie Mertens, Mian Qi, Anna I. Nalepa, Adelheid Godt, Anton Savitsky, Gunnar Jeschke and Maxim Yulikov
Phys. Chem. Chem. Phys., Vol: 19, No: 27 , published: 23 June 2017
Level structure of deeply bound levels of the c3Σg+ state of Rb287
Björn Drews, Markus Deiß, Joschka Wolf, Eberhard Tiemann, and Johannes Hecker Denschlag
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 23 June 2017
Energetic and spectroscopic properties of the low-lying C7H2 isomers: a high-level ab initioperspective
Venkatesan S. Thimmakondu and Amir Karton
Phys. Chem. Chem. Phys., Vol: 19, No: 27 , published: 23 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
СИНТЕЗ И СТРОЕНИЕ КОМПЛЕКСОВ РУТЕНИЯ [PH3PCH2С6H4F-4]2[RUCL6] И [PH3PCH2С6H4F-4][TRANS-RUCL4(DMSO-S)2]
Шарутин В.В., Шарутина О.К., Сенчурин В.С., Кодесс М.И.
Изв. РАН. Сер. хим., Vol: 2017, No: 6 , published: 20 June 2017
СИНТЕЗ ЗАМЕЩЕННЫХ ДИСУЛЬФОНИЛСОДЕРЖАЩИХ ПОЛИЦИКЛИЧЕСКИХ АЗИНОВ С УЗЛОВЫМ АТОМОМ АЗОТА. ВЛИЯНИЕ СТРОЕНИЯ 3-ЗАМЕЩЕННЫХ ИЛИДОВ ПИРИДИНИЯ НА РЕГИОСЕЛЕКТИВНОСТЬ ИХ РЕАКЦИИ С Е-1,2-ДИ(АЛКИЛСУЛЬФОНИЛ)-1,2-ДИХЛОРЭТЕНАМИ
Донцова Н.Е., Шестопалов А.М.
Изв. РАН. Сер. хим., Vol: 2017, No: 6 , published: 20 June 2017
СИНТЕЗ И СВОЙСТВА 1,2-ДИГИДРО-4(3H)-ХИНАЗОЛИНОНОВ
Хачатрян Д.С., Белусь С.К., Мисюрин В.А., Барышникова М.А., Колотаев А.В., Матевосян К.Р.
Изв. РАН. Сер. хим., Vol: 2017, No: 6 , published: 20 June 2017
Relativistic, correlation, and polarization effects in two-photon photoionization of Xe
B. M. Lagutin, I. D. Petrov, V. L. Sukhorukov, Ph. V. Demekhin, A. Knie, and A. Ehresmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 19 June 2017
Single-electron-detachment cross sections of Fe, Ru, Ni, Pd, and Pt in collisions with inert-gas atoms
Guangxin Min, Guannan Guo, Dedong Wang, and Xuemei Zhang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 19 June 2017
Vibrationally assisted below-threshold ionization
Spencer L. Horton, Yusong Liu, Pratip Chakraborty, Spiridoula Matsika, and Thomas Weinacht
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 15 June 2017
Charge transfer in ultracold gases via Feshbach resonances
Marko Gacesa and Robin Côté
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 15 June 2017
Orientation dependence of harmonic emission from vibrating HeH2+ versus HeT2+: Effects of a permanent dipole
Y. P. Li, S. J. Yu, W. Y. Li, and Y. J. Chen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 14 June 2017
Application of the Hylleraas-B-spline basis set: Static dipole polarizabilities of helium
San-Jiang Yang, Xue-Song Mei, Ting-Yun Shi, and Hao-Xue Qiao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 14 June 2017
Magnetic circular dichroism of UCl6 in the ligand-to-metal charge-transfer spectral region
Frédéric Gendron, Valerie E. Fleischauer, Thomas J. Duignan, Brian L. Scott, Matthias W. Löble, Samantha K. Cary, Stosh A. Kozimor, Hélène Bolvin, Michael L. Neidig and Jochen Autschbach
Phys. Chem. Chem. Phys., Vol: 19, No: 26 , published: 14 June 2017
Triply differential measurements of single ionization of argon by 1-keV positron and electron impact
J. Gavin, O. G. de Lucio, and R. D. DuBois
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 14 June 2017
Conformational landscape of the SF6 dimer as revealed by high resolution infrared spectroscopy and complexation with rare gas atoms
Pierre Asselin, Alexey Potapov, Andrew C. Turner, Vincent Boudon, Laurent Bruel, Marc-André Gaveau and Michel Mons
Phys. Chem. Chem. Phys., Vol: 19, No: 26 , published: 14 June 2017
Producing spin-polarized photoelectrons by using the momentum gate in strong-field ionization experiments
Kunlong Liu, Klaus Renziehausen, and Ingo Barth
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 13 June 2017
X-ray versus Auger emission following Xe 1s photoionization
M. N. Piancastelli, K. Jänkälä, L. Journel, T. Gejo, Y. Kohmura, M. Huttula, M. Simon, and M. Oura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 13 June 2017
Spin-dependent quantum theory of high-order above-threshold ionization
D. Zille, D. Seipt, M. Möller, S. Fritzsche, G. G. Paulus, and D. B. Milošević
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 12 June 2017
СИНТЕЗ 3-(2-ГИДРОКСИФЕНИЛ)-1,5-ДИАЛКИЛ-1Н-1,2,4-ТРИАЗОЛОВ И ИХ ZN(II) КОМПЛЕКСОВ
Михайлов И.Е., Викрищук Н.И., Попов Л.Д., Белдовская А.Д., Душенко Г.А., Ревинский Ю.В., Минкин В.И.
Докл. РАН, Vol: 472, No: 6 , published: 10 June 2017
Above-threshold ionization of helium in the long-wavelength regime: Examining the single-active-electron approximation and the two-electron strong-field approximation
Chuan Yu and Lars Bojer Madsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 08 June 2017
Above-threshold ionization of noble gases in elliptically polarized fields: Effects of atomic polarization on photoelectron angular distributions
YanLan Wang, ShaoGang Yu, XuanYang Lai, XiaoJun Liu, and Jing Chen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 6 , published: 06 June 2017
Quantitative probing of subtle interactions among H-bonds in alpha hydroxy carboxylic acid complexes
Quanli Gu, Peifeng Su, Yong Xia, Zhijun Yang, Carl O. Trindle and Joseph L. Knee
Phys. Chem. Chem. Phys., Vol: 19, No: 36 , published: 06 June 2017
Unifying the microscopic picture of His-containing turns: from gas phase model peptides to crystallized proteins
Woon Yong Sohn, Sana Habka, Eric Gloaguen and Michel Mons
Phys. Chem. Chem. Phys., Vol: 19, No: 26 , published: 06 June 2017
Excited state characterization of carbonyl containing carotenoids: a comparison between single and multireference descriptions
Riccardo Spezia, Stefan Knecht and Benedetta Mennucci
Phys. Chem. Chem. Phys., Vol: 19, No: 26 , published: 06 June 2017
Reliability of interacting quantum atoms (IQA) data computed from post-HF densities: impact of the approximation used
Ignacy Cukrowski and Pavel M. Polestshuk
Phys. Chem. Chem. Phys., Vol: 19, No: 25 , published: 30 May 2017
Heavy ligand atom induced large magnetic anisotropy in Mn(II) complexes
Sabyasachi Roy Chowdhury and Sabyashachi Mishra
Phys. Chem. Chem. Phys., Vol: 19, No: 25 , published: 30 May 2017
Electron correlation in beryllium: Effects in the ground state, short-pulse photoionization, and time-delay studies
Juan J. Omiste, Wenliang Li, and Lars Bojer Madsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 30 May 2017
Does H4SO5 exist?
Fernando Murillo, Alba Vargas-Caamal, Sudip Pan, José Luis Cabellos, Miguel J. Mora-Fonz, Alvaro Muñoz-Castro, Albeiro Restrepo and Gabriel Merino
Phys. Chem. Chem. Phys., Vol: 19, No: 26 , published: 30 May 2017
Emitter-site-selective photoelectron circular dichroism of trifluoromethyloxirane
M. Ilchen, G. Hartmann, P. Rupprecht, A. N. Artemyev, R. N. Coffee, Z. Li, H. Ohldag, H. Ogasawara, T. Osipov, D. Ray, Ph. Schmidt, T. J. A. Wolf, A. Ehresmann, S. Moeller, A. Knie, and Ph. V. Demekhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 30 May 2017
Relativistic calculations of differential ionization cross sections: Application to antiproton-hydrogen collisions
A. I. Bondarev, Y. S. Kozhedub, I. I. Tupitsyn, V. M. Shabaev, G. Plunien, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 30 May 2017
Trends of intramolecular hydrogen bonding in substituted alcohols: a deeper investigation
Lucas J. Karas, Patrick R. Batista, Renan V. Viesser, Cláudio F. Tormena, Roberto Rittner and Paulo R. de Oliveira
Phys. Chem. Chem. Phys., Vol: 19, No: 25 , published: 30 May 2017
Isomerization versus dissociation of phenylalanylglycyltryptophan radical cations
Xiaoyan Mu, Justin Kai-Chi Lau, Cheuk-Kuen Lai, K. W. Michael Siu, Alan C. Hopkinson and Ivan K. Chu
Phys. Chem. Chem. Phys., Vol: 19, No: 25 , published: 30 May 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
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
Precise determination of the quadrupole transition matrix element of Ca+40 via branching-fraction and lifetime measurements
H. Shao, Y. Huang, H. Guan, C. Li, T. Shi, and K. Gao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 24 May 2017
Competing pathways in the near-UV photochemistry of acetaldehyde
Benjamin W. Toulson, Kara M. Kapnas, Dmitry A. Fishman and Craig Murray
Phys. Chem. Chem. Phys., Vol: 19, No: 22 , published: 24 May 2017
Role of the recoil ion in single-electron capture and single-ionization processes for collisions of protons with He and Ar atoms
P. Focke, R. E. Olson, N. D. Cariatore, M. Alessi, and S. Otranto
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 23 May 2017
Cross sections for photoionization of fullerene molecular ions Cn+ with n = 40, 50, 70, 76, 78, and 84
C. M. Thomas, K. K. Baral, N. B. Aryal, M. Habibi, D. A. Esteves-Macaluso, A. L. D. Kilcoyne, A. Aguilar, A. S. Schlachter, S. Schippers, A. Müller, and R. A. Phaneuf
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 22 May 2017
Determination of the absolute carrier-envelope phase by angle-resolved photoelectron spectra of Ar by intense circularly polarized few-cycle pulses
Shinichi Fukahori, Toshiaki Ando, Shun Miura, Reika Kanya, Kaoru Yamanouchi, Tim Rathje, and Gerhard G. Paulus
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 22 May 2017
Femtosecond time-resolved photoelectron spectroscopy of the benzyl radical
A. Röder, A. Humeniuk, J. Giegerich, I. Fischer, L. Poisson and R. Mitrić
Phys. Chem. Chem. Phys., Vol: 19, No: 19 , published: 21 May 2017
Tunnelling and barrier-less motions in the 2-fluoroethanol–water complex: a rotational spectroscopic and ab initio study
Wenyuan Huang, Javix Thomas, Wolfgang Jäger and Yunjie Xu
Phys. Chem. Chem. Phys., Vol: 19, No: 19 , published: 21 May 2017
The behavior of a paramagnetic system in electric and magnetic fields as exemplified by revisiting Li@B10H14
Miroslav Medved', Taye B. Demissie, Michael L. McKee and Drahomír Hnyk
Phys. Chem. Chem. Phys., Vol: 19, No: 19 , published: 21 May 2017
Experimental and theoretical investigations of infrared multiple photon dissociation spectra of glutamic acid complexes with Zn2+ and Cd2+
Georgia C. Boles, Cameron J. Owen, Giel Berden, Jos Oomens and P. B. Armentrout
Phys. Chem. Chem. Phys., Vol: 19, No: 19 , published: 21 May 2017
High-resolution FTIR spectroscopy of trisulfane HSSSH: a candidate for detecting parity violation in chiral molecules
S. Albert, I. Bolotova, Z. Chen, C. Fábri, M. Quack, G. Seyfang and D. Zindel
Phys. Chem. Chem. Phys., Vol: 19, No: 19 , published: 21 May 2017
Assessing the predictability of anharmonic vibrational modes at the example of hydroxyl groups – ad hoc construction of localised modes and the influence of structural solute–solvent motifs
Manuel J. Schuler, Thomas S. Hofer and Christian W. Huck
Phys. Chem. Chem. Phys., Vol: 19, No: 19 , published: 21 May 2017
Complex magnetic orders in small cobalt–benzene molecules
J. W. González, T. Alonso-Lanza, F. Delgado, F. Aguilera-Granja and A. Ayuela
Phys. Chem. Chem. Phys., Vol: 19, No: 22 , published: 18 May 2017
Tetrel, pnictogen and chalcogen bonds identified in the gas phase before they had names: a systematic look at non-covalent interactions
Anthony C. Legon
Phys. Chem. Chem. Phys., Vol: 19, No: 23 , published: 18 May 2017
Rovibrational quantum dynamical computations for deuterated isotopologues of the methane–water dimer
János Sarka, Attila G. Császár and Edit Mátyus
Phys. Chem. Chem. Phys., Vol: 19, No: 23 , published: 18 May 2017
Sigma-hole carbon-bonding interactions in carbon–carbon double bonds: an unnoticed contact
D. Quiñonero
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
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
Initial hydration processes of magnesium chloride: size-selected anion photoelectron spectroscopy and ab initio calculations
Gang Feng, Cheng-Wen Liu, Zhen Zeng, Gao-Lei Hou, Hong-Guang Xu and Wei-Jun Zheng
Phys. Chem. Chem. Phys., Vol: 19, No: 23 , published: 18 May 2017
Origin of cooperativity in hydrogen bonding
Jorge Nochebuena, Cristina Cuautli and Joel Ireta
Phys. Chem. Chem. Phys., Vol: 19, No: 23 , published: 18 May 2017
Laser desorption single-conformation UV and IR spectroscopy of the sulfonamide drug sulfanilamide, the sulfanilamide–water complex, and the sulfanilamide dimer
Thomas Uhlemann, Sebastian Seidel and Christian W. Müller
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
Collision-induced dissociation of sodiated glucose and identification of anomeric configuration
Jien-Lian Chen, Hock Seng Nguan, Po-Jen Hsu, Shang-Ting Tsai, Chia Yen Liew, Jer-Lai Kuo, Wei-Ping Hu and Chi-Kung Ni
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
Interaction of molecular nitrogen with free-electron-laser radiation
H. I. B. Banks, D. A. Little, J. Tennyson and A. Emmanouilidou
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 17 May 2017
Role of electronic correlations in photoionization of NO2 in the vicinity of the 2A1/2B2 conical intersection
Danilo S. Brambila, Alex G. Harvey, Karel Houfek, Zdeněk Mašín and Olga Smirnova
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 17 May 2017
2-Thiouracil intersystem crossing photodynamics studied by wavelength-dependent photoelectron and transient absorption spectroscopies
José A. Sánchez-Rodríguez, Abed Mohamadzade, Sebastian Mai, Brennan Ashwood, Marvin Pollum, Philipp Marquetand, Leticia González, Carlos E. Crespo-Hernández and Susanne Ullrich
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 17 May 2017
Modelling charge transfer processes in C2+–tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
Ewa Erdmann, Marie-Christine Bacchus-Montabonel and Marta Łabuda
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
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
The shielding cone in spherical aromatic structures: insights from models for spherical 2(N + 1)2 aromatic fullerenes
Alvaro Muñoz-Castro
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
Towards a formal definition of static and dynamic electronic correlations
Carlos L. Benavides-Riveros, Nektarios N. Lathiotakis and Miguel A. L. Marques
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
Probing the dynamics of N-methylacetamide in methanol via ab initio molecular dynamics
Vivek K. Yadav and Michael L. Klein
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
Can Kohn–Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?
Pragya Verma and Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , 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
The rotational dynamics of H2 adsorbed in covalent organic frameworks
Tony Pham, Katherine A. Forrest, Matthew Mostrom, Joseph R. Hunt, Hiroyasu Furukawa, Juergen Eckert and Brian Space
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
Excitation dynamics involving homogeneous multistate interactions: one and two color VMI and REMPI of HBr
Helgi Rafn Hróðmarsson, Andreas Kartakoullis, Dimitris Zaouris, Pavle Glodic, Huasheng Wang, Peter C. Samartzis and Ágúst Kvaran
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
Network analysis and percolation transition in hydrogen bonded clusters: nitric acid and water extracted by tributyl phosphate
Michael J. Servis, David T. Wu and Jenifer C. Braley
Phys. Chem. Chem. Phys., Vol: 19, No: 18 , published: 14 May 2017
The role of the long-range tail of the potential in O2 + N2 collisional inelastic vibrational energy transfers
Ernesto Garcia, Fernando Pirani, Antonio Laganà and Carles Martí
Phys. Chem. Chem. Phys., Vol: 19, No: 18 , published: 14 May 2017
Gas-phase structure of 1,8-bis[(trimethylsilyl)ethynyl]anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactions
Arseniy A. Otlyotov, Jan-Hendrik Lamm, Sebastian Blomeyer, Norbert W. Mitzel, Vladimir V. Rybkin, Yuriy A. Zhabanov, Natalya V. Tverdova, Nina I. Giricheva and Georgiy V. Girichev
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , 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
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
An FTIR emission study of the products of NO A2Σ+ (v = 0, 1) + O2 collisions
Julian Few, James D. Fletcher, Gus Hancock, Jennifer L. Redmond and Grant A. D. Ritchie
Phys. Chem. Chem. Phys., Vol: 19, No: 18 , published: 14 May 2017
Isomerisation of an intramolecular hydrogen-bonded photoswitch: protonated azobis(2-imidazole)
James N. Bull, Michael S. Scholz, Neville J. A. Coughlan and Evan J. Bieske
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
Calculations of current densities and aromatic pathways in cyclic porphyrin and isoporphyrin arrays
annick J. Franzke, Dage Sundholm and Florian Weigend
Phys. Chem. Chem. Phys., Vol: 19, No: 20 , published: 14 May 2017
The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A–T and A–U base pairs
Abril C. Castro, Marcel Swart and Célia Fonseca Guerra
Phys. Chem. Chem. Phys., Vol: 19, No: 21 , published: 13 May 2017
Calculation of atomic photoionization using the nonsingular convergent close-coupling method
A. W. Bray, A. S. Kheifets, and I. Bray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 12 May 2017
Ultracold atoms in quasi-one-dimensional traps: A step beyond the Lieb-Liniger model
Krzysztof Jachymski, Florian Meinert, Hagar Veksler, Paul S. Julienne, and Shmuel Fishman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 12 May 2017
Cross-damping effects in 1S3S spectroscopy of hydrogen and deuterium
Hélène Fleurbaey, François Biraben, Lucile Julien, Jean-Philippe Karr, and François Nez
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 11 May 2017
Isomer-dependent fragmentation dynamics of inner-shell photoionized difluoroiodobenzene
Utuq Ablikim, Cédric Bomme, Evgeny Savelyev, Hui Xiong, Rajesh Kushawaha, Rebecca Boll, Kasra Amini, Timur Osipov, David Kilcoyne, Artem Rudenko, Nora Berrah and Daniel Rolles
Phys. Chem. Chem. Phys., Vol: 19, No: 21 , published: 11 May 2017
Electron-impact dissociation and ionization of CN+ ions
D. S. Belic, X. Urbain, H. Cherkani-Hassani, and P. Defrance
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 10 May 2017
Electron-impact dissociation and ionization of CN+ ions
D. S. Belic, X. Urbain, H. Cherkani-Hassani, and P. Defrance
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 10 May 2017
Time-dependent density-functional-theory investigation of the collisions of protons and α particles with uracil and adenine
Cody Covington, Kara Hartig, Arthur Russakoff, Ryan Kulpins, and Kálmán Varga
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 09 May 2017
Editorial of the PCCP themed issue on “Physical Chemistry for Life Sciences”
Christoph van Wüllen, Kirsten Schwing, Christoph Riehn and Markus Gerhards
Phys. Chem. Chem. Phys., Vol: 19, No: 17 , published: 07 May 2017
Photodissociation spectroscopy of protonated leucine enkephalin
Andreas Herburger, Christian van der Linde and Martin K. Beyer
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
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
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
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
Correcting the record: the dimers and trimers oftrans-N-methylacetamide
Thomas Forsting, Hannes C. Gottschalk, Beppo Hartwig, Michel Mons and Martin A. Suhm
Phys. Chem. Chem. Phys., Vol: 19, No: 17 , published: 07 May 2017
Rotational spectra of tetracyclic quinolizidine alkaloids: does a water molecule flip sparteine?
Alberto Lesarri, Ruth Pinacho, Lourdes Enríquez, José E. Rubio, Martín Jaraíz, José L. Abad and Marco A. Gigosos
Phys. Chem. Chem. Phys., Vol: 19, No: 27 , published: 05 May 2017
Photon-momentum transfer in photoionization: From few photons to many
Szczepan Chelkowski, André D. Bandrauk, and Paul B. Corkum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 04 May 2017
Photoionization in the presence of circularly polarized fundamental and odd-order harmonic fields
I. A. Ivanov, Chang Hee Nam, and Kyung Taec Kim
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 03 May 2017
Even-parity Rydberg and autoionizing states of lutetium by laser resonance-ionization spectroscopy
R. Li, J. Lassen, Z. P. Zhong, F. D. Jia, M. Mostamand, X. K. Li, B. B. Reich, A. Teigelhöfer, and H. Yan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 5 , published: 02 May 2017
Prediction of low-field nuclear singlet lifetimes with molecular dynamics and quantum-chemical property surface
Pär Håkansson
Phys. Chem. Chem. Phys., Vol: 19, No: 16 , published: 28 April 2017
Interlocked benzenes in triangular π-architectures: anchoring groups dictate ion binding and transmission
S. Chandra Shekar, Sanjay Kumar Meena and R. S. Swathi
Phys. Chem. Chem. Phys., Vol: 19, No: 16 , published: 28 April 2017
Self-interaction effects on charge-transfer collisions
Edwin E. Quashie, Bidhan C. Saha, Xavier Andrade, and Alfredo A. Correa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 27 April 2017
The quasi-unchanged gas-phase molecular structures of the atmospheric aerosol precursor β-pinene and its oxidation product nopinone
E. M. Neeman, J.-R. Avilés-Moreno and T. R. Huet
Phys. Chem. Chem. Phys., Vol: 19, No: 21 , published: 27 April 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
Mapping gas phase dipeptide motions in the far-infrared and terahertz domain
Jérôme Mahé, Daniël J. Bakker, Sander Jaeqx, Anouk M. Rijs and Marie-Pierre Gaigeot
Phys. Chem. Chem. Phys., Vol: 19, No: 21 , published: 27 April 2017
High-resolution spectroscopy of Rydberg molecular states of Rb285 near the 5s+7p asymptote
R. A. Carollo, J. L. Carini, E. E. Eyler, P. L. Gould, and W. C. Stwalley
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 26 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
Corannulene and its complex with water: a tiny cup of water
Cristóbal Pérez, Amanda L. Steber, Anouk M. Rijs, Berhane Temelso, George C. Shields, Juan Carlos Lopez, Zbigniew Kisiel and Melanie Schnell
Phys. Chem. Chem. Phys., Vol: 19, No: 22 , published: 25 April 2017
Theoretical analysis of effective electric fields in mercury monohalides
V. S. Prasannaa, M. Abe, V. M. Bannur, and B. P. Das
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 21 April 2017
Advances in threshold photoelectron spectroscopy (TPES) and threshold photoelectron photoion coincidence (TPEPICO)
Tomas Baer and Richard P. Tuckett
Phys. Chem. Chem. Phys., Vol: 19, No: 15 , published: 21 April 2017
Calculations for electron-impact excitation of Mg4+
K. Wang, L. Fernández-Menchero, O. Zatsarinny, and K. Bartschat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 21 April 2017
Low-energy E0 transition between the components of the ground-state doublet in the muonic atom Th229
E. V. Tkalya
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 20 April 2017
Low-energy E0 transition between the components of the ground-state doublet in the muonic atom Th229
E. V. Tkalya
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 20 April 2017
Photoionization of hydrogen in a strong static electric field
Shun Ohgoda, Oleg I. Tolstikhin, and Toru Morishita
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 20 April 2017
Universal scaling relations for the energies of many-electron Hooke atoms
A. Odriazola, J. Solanpää, I. Kylänpää, A. González, and E. Räsänen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 19 April 2017
Spin entanglement in elastic electron scattering from lithium atoms
K. Bartschat and S. Fonseca dos Santos
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 19 April 2017
Relativistic many-body calculation of energies, multipole transition rates, and lifetimes in tungsten ions
U. I. Safronova, M. S. Safronova, and N. Nakamura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 18 April 2017
Гермилены и станнлены на основе аминобисфенолятных лигандов:внедрение по связи C-BR
Зайцев К.В., Кучук Е.А., Чураков А.В., Зайцева Г.С., Егоров М.П., Карлов С.С.
Изв. РАН. Сер. хим., Vol: 2017, No: 4 , published: 15 April 2017
Синтез и строение дикарбоксилатов трис(4-фторфенилсурьмы): (4-FC6H4)3SB[OC(O)R]2, R = CH2I, C6F5
Шарутин В.В., Шарутина О.К.
Изв. РАН. Сер. хим., Vol: 2017, No: 4 , published: 15 April 2017
Состояние в растворе и комплексообразующие свойства 1,4-бис(амидометилсульфинил)бутана в отношении железа(III),меди(II),кобальта(II),никеля(II)и марганца(II)
Неклюдов В.В., Боос Г.А., Шулаева М.М., Чмутова Г.А., Багина Ю.И., Сальников Ю.И., Амиров Р.Р.
Изв. РАН. Сер. хим., Vol: 2017, No: 4 , published: 15 April 2017
Interplay between relativistic energy corrections and resonant excitations in x-ray multiphoton ionization dynamics of Xe atoms
Koudai Toyota (豊田広大), Sang-Kil Son (손상길), and Robin Santra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 14 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
in/out Isomerism of cyclophanes: a theoretical account of 2,6,15-trithia-[34,10][7]metacyclophane and [34,10][7]metacyclophane as well as their halogen substituted analogues
Milena Vujović, Matija Zlatar, Miloš Milčić and Maja Gruden
Phys. Chem. Chem. Phys., Vol: 19, No: 14 , published: 14 April 2017
Forbidden M1 and E2 transitions in monovalent atoms and ions
U. I. Safronova, M. S. Safronova, and W. R. Johnson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 13 April 2017
Persistent discrepancy between experimental and theoretical lifetimes for Ni
R. Si, C. Y. Zhang, K. Yao, T. Brage, C. Y. Chen, and Y. M. Zou
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 11 April 2017
Optical spectroscopy of complex open-4d-shell ions Sn7+Sn10+
F. Torretti, A. Windberger, A. Ryabtsev, S. Dobrodey, H. Bekker, W. Ubachs, R. Hoekstra, E. V. Kahl, J. C. Berengut, J. R. Crespo López-Urrutia, and O. O. Versolato
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 10 April 2017
Radiative-emission analysis in charge-exchange collisions of O6+ with argon, water, and methane
Anthony C. K. Leung and Tom Kirchner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 10 April 2017
СИНТЕЗ И ИССЛЕДОВАНИЕ СТРУКТУРЫ 5,7(4,6)-ДИ(ТРЕТ-БУТИЛ)-2-(6,8-ДИМЕТИЛ-4-ХЛОРХИНОЛИН-2-ИЛ)-1,3-ТРОПОЛОНОВ МЕТОДАМИ КВАНТОВОЙ ХИМИИ И ДВУМЕРНОЙ КОРРЕЛЯЦИОННОЙ СПЕКТРОСКОПИИ ЯМР
Бородкин Г.С., Колодина А.А., Дороган И.В., Гусаков Е.А., Бородкина И.Г., Чепурной П.Б., Саяпин Ю.А.
Докл. РАН, Vol: 472, No: 3 , published: 10 April 2017
Infrared-pump–x-ray-probe spectroscopy of vibrationally excited molecules
Nina Ignatova, Vinícius V. da Cruz, Rafael C. Couto, Emilie Ertan, Michael Odelius, Hans Ågren, Freddy F. Guimarães, Andrei Zimin, Sergey P. Polyutov, Faris Gel'mukhanov, and Victor Kimberg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 07 April 2017
Quantitative prediction and interpretation of spin energy gaps in polyradicals: the virtual magnetic balance
Vincenzo Barone, Ivo Cacelli, Alessandro Ferretti and Giacomo Prampolini
Phys. Chem. Chem. Phys., Vol: 19, No: 13 , published: 07 April 2017
In search of the best DFT functional for dealing with organic anionic species
José L. Borioni, Marcelo Puiatti, D. Mariano A. Vera and Adriana B. Pierini
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
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
The radio spectra of planar aromatic heterocycles: how to quantify and predict the negative inertial defects
Michaela K. Jahn, Jens-Uwe Grabow, Michael J. Travers, Dennis Wachsmuth, Peter D. Godfrey and Don McNaughton
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
Hyperfine-mediated electric quadrupole shifts in Al+ and In+ ion clocks
K. Beloy, D. R. Leibrandt, and W. M. Itano
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 06 April 2017
Initial-state-selected MNN Auger spectroscopy of atomic rubidium
J. Keskinen, P. Lablanquie, F. Penent, J. Palaudoux, L. Andric, D. Cubaynes, J.-M. Bizau, M. Huttula, and K. Jänkälä
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 05 April 2017
Single-electron capture in 3-keV/u Ar8+-He collisions
R. T. Zhang, X. L. Zhu, X. Y. Li, L. Liu, S. F. Zhang, W. T. Feng, D. L. Guo, Y. Gao, D. M. Zhao, J. G. Wang, and X. Ma
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 4 , published: 04 April 2017
Electron and nuclear spin polarization in Rb-Xe spin-exchange optical hyperpolarization
Matti Hanni, Perttu Lantto, Michal Repiský, Jiří Mareš, Brian Saam, and Juha Vaara
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 31 March 2017
Characterization of charge-exchange collisions between ultracold Li6 atoms and Ca40+ ions
R. Saito, S. Haze, M. Sasakawa, R. Nakai, M. Raoult, H. Da Silva, Jr., O. Dulieu, and T. Mukaiyama
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 31 March 2017
Single ionization of helium by 1-MeV protons
A. B. Voitkiv
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 31 March 2017
Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective
Elham Khosravi, Ali Abedi, Angel Rubio and Neepa T. Maitra
Phys. Chem. Chem. Phys., Vol: 19, No: 12 , published: 28 March 2017
Insights into the enhanced CeN triple bond in the HCeN molecule
Zhen Pu, Wenjie Yu, Soumendra K. Roy, Chaoyang Li, Bingyun Ao, Tianwei Liu, Maobing Shuai and Xuefeng Wang
Phys. Chem. Chem. Phys., Vol: 19, No: 12 , published: 28 March 2017
Effective radius of ground- and excited-state positronium in collisions with hard walls
R. Brown, Q. Prigent, A. R. Swann, and G. F. Gribakin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 22 March 2017
A velocity map imaging study of the photodissociation of the methyl iodide cation
S. Marggi Poullain, D. V. Chicharro, J. González-Vázquez, L. Rubio-Lago and L. Bañares
Phys. Chem. Chem. Phys., Vol: 19, No: 11 , published: 21 March 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
Photoionization of atomic barium subshells in the 4d threshold region using the relativistic multiconfiguration Tamm-Dancoff approximation
Aarthi Ganesan, P. C. Deshmukh, and S. T. Manson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 17 March 2017
Isotope shifts and transition frequencies for the S and P states of lithium: Bethe logarithms and second-order relativistic recoil
L. M. Wang, Chun Li, Z.-C. Yan, and G. W. F. Drake
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 17 March 2017
Negative Hyperconjugation in Acidity of Polyfluorinated Alkanes. A Natural Bond Orbital Analysis
Masahiko Suenaga,Kazuhide Nakata,José-Luis M. Abboud,Masaaki Mishima
Bull. Chem. Soc. Jpn., Vol: 90, No: 3 , published: 17 March 2017
Long-range interactions between rubidium and potassium Rydberg atoms
Nolan Samboy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 15 March 2017
Cold collision and high-resolution spectroscopy of buffer-gas-cooled BaF molecules
Wenhao Bu, Tao Chen, Guitao Lv, and Bo Yan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 15 March 2017
Organic photodiodes from homochiral L-proline derived squaraine compounds with strong circular dichroism
Matthias Schulz, Majvor Mack, Oliver Kolloge, Arne Lützen and Manuela Schiek
Phys. Chem. Chem. Phys., Vol: 19, No: 10 , published: 14 March 2017
Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations
Tatsuhiko Ohto, Johannes Hunger, Ellen H. G. Backus, Wataru Mizukami, Mischa Bonn and Yuki Nagata
Phys. Chem. Chem. Phys., Vol: 19, No: 10 , published: 14 March 2017
Recollision as a probe of magnetic-field effects in nonsequential double ionization
A. Emmanouilidou and T. Meltzer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 07 March 2017
Fast and slow excited-state intramolecular proton transfer in 3-hydroxychromone: a two-state story?
Aurelie Perveaux, Maxime Lorphelin, Benjamin Lasorne and David Lauvergnat
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
Theoretical study of HCN–water interaction: five dimensional potential energy surfaces
Ernesto Quintas Sánchez and Marie-Lise Dubernet
Phys. Chem. Chem. Phys., Vol: 19, No: 9 , published: 07 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
Vibrational intensities in the mobile block Hessian approximation
Richard Terrett, Rob Stranger, Terry Frankcombe and Ronald J. Pace
Phys. Chem. Chem. Phys., Vol: 19, No: 9 , published: 07 March 2017
Electron-nuclear correlation in above-threshold double ionization of molecules
Peifen Lu, Wenbin Zhang, Xiaochun Gong, Qiying Song, Kang Lin, Qinying Ji, Junyang Ma, Feng He, Heping Zeng, and Jian Wu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 3 , published: 06 March 2017
Палладиевые комплексы 1-метил-3-фенилиндазола
Булыгина Л.А., Хрущева Н.С., Иконников Н.С., Соколов В.И.
Изв. РАН. Сер. хим., Vol: 2017, No: 3 , published: 01 March 2017
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory
Junwei Lucas Bao, Xin Zhang, Xuefei Xu and Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 19, No: 8 , published: 28 February 2017
Electrical anharmonicity in hydrogen bonded systems: complete interpretation of the IR spectra of the Cl–[H with combining right harpoon above (vector)]stretching band in the gaseous (CH3)2O⋯HCl complex
Najeh Rekik, Jamal Suleiman, Paul Blaise, Marek J. Wojcik, Henryk T. Flakus and Takahito Nakajima
Phys. Chem. Chem. Phys., Vol: 19, No: 8 , published: 28 February 2017
Enhanced effect of CP-violating nuclear magnetic quadrupole moment in a HfF+ molecule
L. V. Skripnikov, A. V. Titov, and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 28 February 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
Massive dihydrogen uptake by anionic carbon chains
Therese Davis Della and Cherumuttathu H. Suresh
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
Verifying thermodynamic equilibrium of molecular manifolds: Kennard-Stepanov spectroscopy of a molecular gas
Stavros Christopoulos, Dominik Möller, Roberto Cota, Benedikt Gerwers, and Martin Weitz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 27 February 2017
Time-dependent formulation of the two-dimensional model of resonant electron collisions with diatomic molecules and interpretation of the vibrational excitation cross sections
Martin Váňa and Karel Houfek
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 23 February 2017
Prediction of metastable AlS2+ dications in the gas phase
Karim Elhadj Merabti, Bilel Mehnen, Sihem Azizi, Saida Ben Yaghlane, Nejm Eddine Jaidane, Muneerah Mogren Al Mogren, and Majdi Hochlaf
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 21 February 2017
Limitations in photoionization of helium by an extreme ultraviolet optical vortex
T. Kaneyasu, Y. Hikosaka, M. Fujimoto, T. Konomi, M. Katoh, H. Iwayama, and E. Shigemasa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 17 February 2017
Scalar-pseudoscalar interaction in the francium atom
L. V. Skripnikov, D. E. Maison, and N. S. Mosyagin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 16 February 2017
Isotopic effects in scattering and kinetics of the atomic cascade of excited μp and μd atoms
V. P. Popov and V. N. Pomerantsev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 16 February 2017
Single and double ionization of magnesium by electron impact: A classical study
J. Dubois, S. A. Berman, C. Chandre, and T. Uzer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 15 February 2017
Nonadiabatic Renner–Teller quantum dynamics of OH(X2Π) + H+ reactive collisions
Pablo Gamallo, Sinan Akpinar, Paolo Defazio and Carlo Petrongolo
Phys. Chem. Chem. Phys., Vol: 19, No: 6 , published: 14 February 2017
Double photoionization of tribromoborazine from 25 to 138 eV
R. Wehlitz, M. MacDonald, L. Zuin, A. C. F. Santos, and N. Appathurai
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 14 February 2017
Photocleavage of coumarin dimers studied by femtosecond UV transient absorption spectroscopy
Man Jiang, Nicholas Paul, Nikolai Bieniek, Tiago Buckup, Norbert Hampp and Marcus Motzkus
Phys. Chem. Chem. Phys., Vol: 19, No: 6 , published: 14 February 2017
Conformational structures of jet-cooled acetaminophen–water clusters: a gas phase spectroscopic and computational study
Ahreum Min, Ahreum Ahn, Cheol Joo Moon, Ji Hoon Lee, Yeon Guk Seong, Seong Keun Kim and Myong Yong Choi
Phys. Chem. Chem. Phys., Vol: 19, No: 6 , published: 14 February 2017
The water association band as a marker of hydrogen bonds in trehalose amorphous matrices
Sergio Giuffrida, Grazia Cottone and Lorenzo Cordone
Phys. Chem. Chem. Phys., Vol: 19, No: 6 , published: 14 February 2017
Collision energy dependence of state-to-state differential cross sections for rotationally inelastic scattering of H2O by He
Gautam Sarma, Ashim Kumar Saha, Chandan Kumar Bishwakarma, Roy Scheidsbach, Chung-Hsin Yang, David Parker, Laurent Wiesenfeld, Udo Buck, Lazaros Mavridis and Sarantos Marinakis
Phys. Chem. Chem. Phys., Vol: 19, No: 6 , published: 14 February 2017
Molecular structure of clonidine: gas-phase electron diffraction, single-crystal X-ray diffraction and quantum chemical studies
Inna N. Kolesnikova, Anatolii N. Rykov, Igor F. Shishkov, Victor A. Tafeenko and Leonid A. Aslanov
Phys. Chem. Chem. Phys., Vol: 19, No: 6 , published: 14 February 2017
Successive lithiation of acetylene, ethylene and benzene: a comprehensive computational study of large static second hyperpolarizability
Avijit Mondal, Kaushik Hatua, Ria Sinha Roy and Prasanta K. Nandi
Phys. Chem. Chem. Phys., Vol: 19, No: 6 , published: 14 February 2017
Hydration of the simplest α-keto acid: a rotational spectroscopic and ab initio study of the pyruvic acid–water complex
Elijah G. Schnitzler, Nathan A. Seifert, Supriya Ghosh, Javix Thomas, Yunjie Xu and Wolfgang Jäger
Phys. Chem. Chem. Phys., Vol: 19, No: 6 , published: 14 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
General theory for Rydberg states of atoms: The nonrelativistic case
Xiao-Feng Wang and Zong-Chao Yan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 13 February 2017
Ion-pair dissociation of highly excited carbon clusters: Size and charge effects
Thibaut Launoy, Karine Béroff, Marin Chabot, Guillaume Martinet, Arnaud Le Padellec, Thomas Pino, Sandra Bouneau, Nathalie Vaeck, Jacques Liévin, Géraldine Féraud, Jérôme Loreau, and Thejus Mahajan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 13 February 2017
Reexamination of the interaction of atoms with a LiF(001) surface
J. E. Miraglia and M. S. Gravielle
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 13 February 2017
Комплексообразование тетрафторида титана с фосфорилированным кетоном PH2P(O)(CH2)2C(O)ME в СН2СL2
Ильин Е.Г., Паршаков А.С., Данилов В.В., Яржемский В.Г., Горюнов Е.И., Горюнова И.Б., Нифантьев Э.Е.
Докл. РАН, Vol: 471, No: 2 , published: 10 February 2017
TaO+ as a candidate molecular ion for searches of physics beyond the standard model
Timo Fleig
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 09 February 2017
ИЗУЧЕНИЕ РАСПАДА НИТРОЗИЛЬНОГО КОМПЛЕКСА ЖЕЛЕЗА ТИПА µ-N–C–S И ЕГО ВЗАИМОДЕЙСТВИЕ С GSH В ВОДНОМ РАСТВОРЕ
Покидова О.В., Шкондина Н.И., Руднева Т.Н., Котельников А.И., Сырцова Л.А., Санина Н.А., Алдошин С.М.
Докл. РАН, Vol: 473, No: 2 , published: 09 February 2017
Effects of exchange-correlation potentials on the density-functional description of C60 versus C240 photoionization
Jinwoo Choi, EonHo Chang, Dylan M. Anstine, Mohamed El-Amine Madjet, and Himadri S. Chakraborty
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , 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
Nonadiabatic photodynamics and UV absorption spectrum of all-trans-octatetraene
Igor Lyskov, Horst Köppel and Christel M. Marian
Phys. Chem. Chem. Phys., Vol: 19, No: 5 , published: 07 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
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
Two-electron atom with a screened interaction
C. A. Downing
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 06 February 2017
Prediction of quantum many-body chaos in the protactinium atom
A. V. Viatkina, M. G. Kozlov, and V. V. Flambaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 06 February 2017
Adiabatic-nuclei calculations of positron scattering from molecular hydrogen
Mark C. Zammit, Dmitry V. Fursa, Jeremy S. Savage, Igor Bray, Luca Chiari, Antonio Zecca, and Michael J. Brunger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 06 February 2017
Creation of two-photon states via interactions between Rydberg atoms during light storage
J. Ruseckas, I. A. Yu, and G. Juzeliūnas
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 03 February 2017
Potential energy surfaces in atomic structure: The role of Coulomb correlation in the ground state of helium
L. D. Salas and J. C. Arce
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 03 February 2017
Dynamics of transfer ionization in p-He collisions at intermediate energies
D. L. Guo, X. Ma, S. F. Zhang, X. L. Zhu, W. T. Feng, R. T. Zhang, Y. Gao, B. Hai, M. Zhang, D. B. Qian, S. Yan, and P. Zhang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 03 February 2017
Vibronic transitions in the alkali-metal (Li, Na, K, Rb) – alkaline-earth-metal (Ca, Sr) series: A systematic analysis of de-excitation mechanisms based on the graphical mapping of Frank-Condon integrals
Johann V. Pototschnig, Ralf Meyer, Andreas W. Hauser, and Wolfgang E. Ernst
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 02 February 2017
Long-range interactions of hydrogen atoms in excited states. II. Hyperfine-resolved 2S2S systems
U. D. Jentschura, V. Debierre, C. M. Adhikari, A. Matveev, and N. Kolachevsky
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 02 February 2017
Electron-impact ionization of H2O at low projectile energy: Internormalized triple-differential cross sections in three-dimensional kinematics
Xueguang Ren, Sadek Amami, Khokon Hossen, Esam Ali, ChuanGang Ning, James Colgan, Don Madison, and Alexander Dorn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 02 February 2017
Elastic electron scattering from ortho-, meta-, and paraxylenes, C8H10
A. Sakaamini, S. M. Khakoo, L. Hargreaves, M. A. Khakoo, D. F. Pastega, and M. H. F. Bettega
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 02 February 2017
Torsional and rotational couplings in nonrigid molecules
Juan J. Omiste and Lars Bojer Madsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 95, No: 2 , published: 01 February 2017
(Инденил)иридакарборан (η5-indenyl)Ir(η-7,8-C2B9H11): синтез, структура и природа связи
Д. А. Логинов, В. О. Идрисов, Ю. В. Нелюбина, Ю. Н. Ласькова, А. Р. Кудинов
Изв. РАН. Сер. хим., Vol: 2017, No: 2 , published: 01 February 2017
Квантово-химическое моделирование валентно-таутомерных аддуктов бис-хелатов CoII с пирен-4,5-дииминами
В. И. Минкин, А. А. Старикова, А. Г. Стариков
Изв. РАН. Сер. хим., Vol: 2017, No: 2 , published: 01 February 2017
Quantum ergodicity breaking in semi-classical electron transfer dynamics
Igor Goychuk
Phys. Chem. Chem. Phys., Vol: 19, No: 4 , published: 28 January 2017
Structure, fragmentation patterns, and magnetic properties of small nickel oxide clusters
R. H. Aguilera-del-Toro, F. Aguilera-Granja, L. C. Balbás and A. Vega
Phys. Chem. Chem. Phys., Vol: 19, No: 4 , published: 28 January 2017
Nanostructure, hydrogen bonding and rheology in choline chloride deep eutectic solvents as a function of the hydrogen bond donor
Ryan Stefanovic, Michael Ludwig, Grant B. Webber, Rob Atkin and Alister J. Page
Phys. Chem. Chem. Phys., Vol: 19, No: 4 , published: 28 January 2017
Fragmentation of KrN+ clusters after electron impact ionization. Short-time dynamics simulations and approximate multi-scale treatment
Ivan Janeček, Pavel Naar, Martin Stachoň, Florent Xavier Gadea and René Kalus
Phys. Chem. Chem. Phys., Vol: 19, No: 4 , published: 28 January 2017
The driving force for Π-bond localization and bond alternation in trisannelated benzenes
Xuhui Lin, Zhenhua Chen and Wei Wu
Phys. Chem. Chem. Phys., Vol: 19, No: 4 , published: 28 January 2017
Pentagonal five-center four-electron π bond in ternary B3N2H5 cluster: an extension of the concept of three-center four-electron ω bond
Da-Zhi Li, Lin-Yan Feng, Ling Pei, Li-Juan Zhang, Shu-Guo Wu and Hua-Jin Zhai
Phys. Chem. Chem. Phys., Vol: 19, No: 3 , published: 21 January 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
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
Raman optical activity of tetra-alanine in the poly(L-proline) II type peptide conformation
Masakazu Furuta, Tomotsumi Fujisawa, Hiroyasu Urago, Takahiro Eguchi, Takahito Shingae, Satoshi Takahashi, Ewan W. Blanch and Masashi Unno
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
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
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
ДВУХФОТОННЫЕ РИДБЕРГОВСКИЕ РЕЗОНАНСЫ В ЛИТИИ-7, ПОЛУЧЕННЫЕ МЕТОДОМ ПАДЕНИЯ РЕЗОНАНСНОЙ ФЛУОРЕСЦЕНЦИИ
Зеленер Б.Б., Саакян С.А., Саутенков В.А., Фортов В.Е.
Докл. РАН, Vol: 473, No: 1 , published: 16 January 2017
A full dimensional potential for H2O2 (X1A) covering all dissociation channels
Daniela V. Coelho and João Brandão
Phys. Chem. Chem. Phys., Vol: 19, No: 2 , published: 14 January 2017
Unravelling the dissociation pathways of acetic acid upon electron transfer in potassium collisions: experimental and theoretical studies
G. Meneses, C. Widmann, T. Cunha, A. Gil, F. Ferreira da Silva, M. J. Calhorda and P. Limão-Vieira
Phys. Chem. Chem. Phys., Vol: 19, No: 2 , published: 14 January 2017
The role of arsenic in the hydrolysis and DNA metalation processes in an arsenous acid–platinum(II) anticancer complex
T. Marino, A. Parise and N. Russo
Phys. Chem. Chem. Phys., Vol: 19, No: 2 , published: 14 January 2017
Exploration of hydrogen bond networks and potential energy surfaces of methanol clusters using a two-stage clustering algorithm
Po-Jen Hsu, Kun-Lin Ho, Sheng-Hsien Lin and Jer-Lai Kuo
Phys. Chem. Chem. Phys., Vol: 19, No: 1 , published: 07 January 2017
Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde
Eduardo Romero-Montalvo, José Manuel Guevara-Vela, Aurora Costales, Ángel Martín Pendás and Tomás Rocha-Rinza
Phys. Chem. Chem. Phys., Vol: 19, No: 1 , published: 07 January 2017
The conformational landscape of 2-(4-fluoro-phenyl)-ethylamine: consequences of fluorine substitution at the para position
Afik Shachar, Nitzan Mayorkas, Hanan Sachs and Ilana Bar
Phys. Chem. Chem. Phys., Vol: 19, No: 1 , published: 07 January 2017
Dehydro-oxazole, thiazole and imidazole radicals: insights into the electronic structure, stability and reactivity aspects
Anamika Mukhopadhyay, Lilit Jacob and Sugumar Venkataramani
Phys. Chem. Chem. Phys., Vol: 19, No: 1 , published: 07 January 2017
Conformational equilibrium and internal dynamics in the iso-propanol–water dimer
Luca Evangelisti, Qian Gou, Gang Feng, Walther Caminati, Griffin J. Mead, Ian A. Finneran, P. Brandon Carroll and Geoffrey A. Blake
Phys. Chem. Chem. Phys., Vol: 19, No: 1 , published: 07 January 2017
Comparative experimental and theoretical study of the rotational excitation of CO by collision with ortho- and para-D2 molecules
T. Stoecklin, A. Faure, P. Jankowski, S. Chefdeville, A. Bergeat, C. Naulin, S. B. Morales and M. Costes
Phys. Chem. Chem. Phys., Vol: 19, No: 1 , published: 07 January 2017
Regarding the torsional flexibility of the dihydrolipoic acid's pharmacophore: 1,3-propanedithiol
Annalisa Vigorito, Camilla Calabrese, Ettore Paltanin, Sonia Melandri and Assimo Maris
Phys. Chem. Chem. Phys., Vol: 19, No: 1 , published: 07 January 2017
Исследование спектра высокого разрешения полосы 2N3 молекулы 32S18O2
Замотаева В.А., Аслаповская Ю.С., Васильев К.С., Федотов Л.Е., Бехтерева Е.С., Зятькова А.Г.
Изв. вузов. Физ., Vol: 60, No: 11 , published: 01 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
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
Строение и конформационный анализ 2-окси-5-изобутил-1,3,2-диоксаборинана
Валиахметова О.Ю., Тюмкина Т.В., Мещерякова Е.С., Халилов Л.М., Кузнецов В.В.
Ж. общ. химии, Vol: 87, No: 1 , published: 01 January 2017
Комплексообразование палладия(II) и платины(II) с 6-трет-бутил-2-тиоурацилом
Голубятникова Л.Г., Хисамутдинов Р.А., Грабовский С.А., Кабальнова Н.Н., Муринов Ю.И.
Ж. общ. химии, Vol: 87, No: 1 , published: 01 January 2017
Синтез и строение комплексов палладия [PH3P(CH2)3PPH3][PDBR4], [PH3P(CH2)3PPH3][PD2BR6]·DMF и [PH3P(CH2)3PPH3][PDBR3(DMSO-S)]2
Шарутин В.В., Шарутина О.К., Сенчурин В.С., Ильченко И.А., Андреев П.В.
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
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
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
Теоретическое и экспериментальное изучение имин-енаминной таутомерии продуктов конденсации пропаналя с 4-аминобензойной кислотой в этаноле
П. А. Калмыков, И. А. Ходов, В. В. Клочков, М. В. Клюев
Изв. РАН. Сер. хим., Vol: 2017, No: 1 , published: 01 January 2017
Two-dimensional optical spectroscopy of homo- and heterodimers
Johannes Wehner and Volker Engel
Phys. Chem. Chem. Phys., Vol: 18, No: 48 , published: 28 December 2016
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
Dynamics and yields for CHBrCl2 photodissociation from 215–265 nm
Wyatt G. Merrill, F. Fleming Crim and Amanda S. Case
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
How far away are iron carbide clusters from the bulk?
Longyan Zheng, Xingchen Liu, Yu Meng, Yuwei Zhou, Wenping Guo, Qing Peng, Yong Yang, Haijun Jiao, Yong-Wang Li and Xiao-Dong Wen
Phys. Chem. Chem. Phys., Vol: 18, No: 48 , published: 28 December 2016
Time-resolved photoelectron imaging of iodide–nitromethane (I·CH3NO2) photodissociation dynamics
Alice Kunin, Wei-Li Li and Daniel M. Neumark
Phys. Chem. Chem. Phys., Vol: 18, No: 48 , published: 28 December 2016
Understanding the role of hydrogen bonding in Brønsted acidic ionic liquid-catalyzed transesterification: a combined theoretical and experimental investigation
Kaixin Li, Yibo Yan, Jun Zhao, Junxi Lei, Xinli Jia, Samir H. Mushrif and Yanhui Yang
Phys. Chem. Chem. Phys., Vol: 18, No: 48 , published: 28 December 2016
Dipolar dissociation dynamics in electron collisions with carbon monoxide
Dipayan Chakraborty, Pamir Nag and Dhananjay Nandi
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
The intrinsic strength of the halogen bond: electrostatic and covalent contributions described by coupled cluster theory
Vytor Oliveira, Elfi Kraka and Dieter Cremer
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
Dipolar molecules inside C70: an electric field-driven room-temperature single-molecule switch
Cina Foroutan-Nejad, Valery Andrushchenko and Michal Straka
Phys. Chem. Chem. Phys., Vol: 18, No: 48 , published: 28 December 2016
Identification of photofragmentation patterns in trihalide anions by global analysis of vibrational wavepacket dynamics in broadband transient absorption data
Sebastian Schott, Lea Ress, Jan Hrušák, Patrick Nuernberger and Tobias Brixner
Phys. Chem. Chem. Phys., Vol: 18, No: 48 , published: 28 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
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
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
Far-infrared spectra of the tryptamine A conformer by IR-UV ion gain spectroscopy
Michael Schmitt, Frans Spiering, Vitali Zhaunerchyk, Rienk T. Jongma, Sander Jaeqx, Anouk M. Rijs and Wim J. van der Zande
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
Pushing the limit for the grid-based treatment of Schrödinger's equation: a sparse Numerov approach for one, two and three dimensional quantum problems
Ulrich Kuenzer, Jan-Andrè Sorarù and Thomas S. Hofer
Phys. Chem. Chem. Phys., Vol: 18, No: 46 , published: 14 December 2016
Light-induced dipole moment modulation in diarylethenes: a fundamental study
Andrea Bianco, Giorgio Ferrari, Rossella Castagna, Andrea Rossi, Marco Carminati, Giorgio Pariani, Matteo Tommasini and Chiara Bertarelli
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
Hydrogen bonds vs. π-stacking interactions in the p-aminophenol⋯p-cresol dimer: an experimental and theoretical study
M. C. Capello, F. J. Hernández, M. Broquier, C. Dedonder-Lardeux, C. Jouvet and G. A. Pino
Phys. Chem. Chem. Phys., Vol: 18, No: 45 , published: 07 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
Vibrational spectroscopy as a direct stereochemical probe for polyhydroxylated molecules
F. Passareli, A. N. L. Batista, A. J. Cavalheiro, W. A. Herrebout and J. M. Batista Junior
Phys. Chem. Chem. Phys., Vol: 18, No: 45 , published: 07 December 2016
Experimental and theoretical identification of the Fe(VII) oxidation state in FeO4
Jun-Bo Lu, Jiwen Jian, Wei Huang, Hailu Lin, Jun Li and Mingfei Zhou
Phys. Chem. Chem. Phys., Vol: 18, No: 45 , published: 07 December 2016
Nature of the chemical bond from the point of view of the degree of overlapping of electron shells for ions, atoms, and molecules
Zhyganiuk I.V.
Доп. Нац. АН Украïни, Vol: 2016, No: 12 , published: 01 December 2016
Reversible Structural Changes of Strong Hydrogen Bond-Supported Organic Networks Using Neutral 3,5-Pyridinedicarboxylic Acid N-oxide through Solvent Release/Uptake
Shin-ichiro Noro, Rika Ochi, Kazuya Kubo, and Takayoshi Nakamura
Bull. Chem. Soc. Jpn., Vol: 89, No: 12 , published: 01 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
Дихлоридные и бис(алкильные) комплексы редкоземельных металлов, содержащие амидинат-амидопиридинатные лиганды: синтез, строение и реакционная способность
В. Ю. Радьков, А. В. Черкасов, Т. А. Ковылина, А. А. Трифонов
Изв. РАН. Сер. хим., Vol: 2016, No: 12 , published: 01 December 2016
Синтез, строение и магнитные свойства биядерных комплексов NiII с анионами 3,5-ди(трет-бутил)бензойной, 4-гидрокси-3,5-ди(трет-бутил)бензойной кислот и 2,3-лутидином
С. А. Николаевский, М. А. Кискин, А. А. Старикова, Н. Н. Ефимов, А. А. Сидоров, В. М. Новоторцев, И. Л. Еременко
Изв. РАН. Сер. хим., Vol: 2016, No: 12 , published: 01 December 2016
Амидинатбис(боргидридные) комплексы редкоземельных металлов [6-Me-C5H3N-2-CH2C(NPri)2]Ln(BH4)2THF2 (Ln = Y, Nd): синтез, строение и каталитическая активность в полимеризации изопрена
Г. Г. Скворцов, А. О. Толпыгин, Д. М. Любов, Н. М. Хамалетдинова, А. В. Черкасов, К. А. Лысенко, А. А. Трифонов
Изв. РАН. Сер. хим., Vol: 2016, No: 12 , published: 01 December 2016
Observation of the 1S0 to 3D1 clock transition in 175Lu+
K. J. Arnold, R. Kaewuam, A. Roy, E. Paez, S. Wang, and M. D. Barrett
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 29 November 2016
Measurement of the Yb I S01P11 transition frequency at 399 nm using an optical frequency comb
Michaela Kleinert, M. E. Gold Dahl, and Scott Bergeson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 29 November 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
Exchange potentials for semi-classical electrons
Judith Herzfeld and Solen Ekesan
Phys. Chem. Chem. Phys., Vol: 18, No: 44 , published: 28 November 2016
Giant spin–orbit effects on 1H and 13C NMR shifts for uranium(VI) complexes revisited: role of the exchange–correlation response kernel, bonding analyses, and new predictions
Anja H. Greif, Peter Hrobárik, Jochen Autschbach and Martin Kaupp
Phys. Chem. Chem. Phys., Vol: 18, No: 44 , published: 28 November 2016
On the wavelength dependence of UV induced thymine photolesions: a synchrotron radiation circular dichroism study
Marlene Møller Madsen, Nykola C. Jones, Steen Brøndsted Nielsen and Søren Vrønning Hoffmann
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
125Te NMR provides evidence of autoassociation of organo-ditellurides in solution
P. J. W. Elder and I. Vargas-Baca
Phys. Chem. Chem. Phys., Vol: 18, No: 44 , published: 28 November 2016
Spin-exchange collision mixing of the K and Rb ac Stark shifts
Yao Chen, Wei Quan, Lihong Duan, Yan Lu, Liwei Jiang, and Jiancheng Fang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 28 November 2016
Dissociative electron attachment to halogen molecules: Angular distributions and nonlocal effects
I. I. Fabrikant
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 28 November 2016
An ab initio anharmonic approach to study vibrational spectra of small ammonia clusters
Kun-Lin Ho, Lo-Yun Lee, Marusu Katada, Asuka Fujii and Jer-Lai Kuo
Phys. Chem. Chem. Phys., Vol: 18, No: 44 , published: 28 November 2016
Polarizabilities and tune-out wavelengths of the hyperfine ground states of Rb87,85
Xia Wang, Jun Jiang, Lu-You Xie, Deng-Hong Zhang, and Chen-Zhong Dong
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 23 November 2016
Electron interaction with dimethyl disulfide in the low- and intermediate-energy range
L. A. da Silva, V. A. S. da Mata, G. L. C. de Souza, I. Iga, L. E. Machado, R. R. Lucchese, M.-T. Lee, and M. G. P. Homem
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 23 November 2016
Higher-order recoil corrections for triplet states of the helium atom
Vojtěch Patkóš, Vladimir A. Yerokhin, and Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 22 November 2016
Ionization propensity and electron momentum distribution of the toluene S1 excited state studied by time-resolved binary (e,2e) spectroscopy
Masakazu Yamazaki, Yaguo Tang, and Masahiko Takahashi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 22 November 2016
Intramolecular torque, an indicator of the internal rotation direction of rotor molecules and similar systems
Rui-Qin Zhang, Yan-Ling Zhao, Fei Qi, Klaus Hermann and Michel A. Van Hove
Phys. Chem. Chem. Phys., Vol: 18, No: 43 , published: 21 November 2016
Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations
Alexander Karabanov, Grzegorz Kwiatkowski, Carlo U. Perotto, Daniel Wiśniewski, Jonathan McMaster, Igor Lesanovsky and Walter Köckenberger
Phys. Chem. Chem. Phys., Vol: 18, No: 43 , published: 21 November 2016
Theoretical study of the H/D isotope effect on phase transition of hydrogen-bonded organic conductor κ-H3(Cat-EDT-TTF)2
Kaichi Yamamoto, Yusuke Kanematsu, Umpei Nagashima, Akira Ueda, Hatsumi Mori and Masanori Tachikawa
Phys. Chem. Chem. Phys., Vol: 18, No: 43 , published: 21 November 2016
Local NH–π interactions involving aromatic residues of proteins: influence of backbone conformation and ππ* excitation on the π H-bond strength, as revealed from studies of isolated model peptides
Woon Yong Sohn, Valérie Brenner, Eric Gloaguen and Michel Mons
Phys. Chem. Chem. Phys., Vol: 18, No: 43 , published: 21 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
An accurate multi-channel multi-reference full-dimensional global potential energy surface for the lowest triplet state of H2O2
Jun Li, Richard Dawes and Hua Guo
Phys. Chem. Chem. Phys., Vol: 18, No: 43 , published: 21 November 2016
Relativistic coupled-cluster calculations of transition properties in highly charged inert-gas ions
D. K. Nandy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 18 November 2016
Ionization of Na Rydberg atoms by a 79-GHz microwave field
A. Arakelyan, J. Nunkaew, and T. F. Gallagher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 17 November 2016
Calculation of Stark resonance parameters for valence orbitals of the water molecule
Susana Arias Laso and Marko Horbatsch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 14 November 2016
Competition between quasi-planar and cage-like structures in the B29 cluster: photoelectron spectroscopy and ab initio calculations
Hai-Ru Li, Tian Jian, Wei-Li Li, Chang-Qing Miao, Ying-Jin Wang, Qiang Chen, Xue-Mei Luo, Kang Wang, Hua-Jin Zhai, Si-Dian Li and Lai-Sheng Wang
Phys. Chem. Chem. Phys., Vol: 18, No: 42 , published: 14 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
Ionization of N2 in collisions with fast electrons: Evidence of an interference effect
Madhusree Roy Chowdhury, C. R. Stia, C. A. Tachino, O. A. Fojon, Roberto D. Rivarola, and Lokesh C. Tribedi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 14 November 2016
A theoretical study of weak interactions in phenylenediamine homodimer clusters
Chengqian Yuan, Haiming Wu, Meiye Jia, Peifeng Su, Zhixun Luo and Jiannian Yao
Phys. Chem. Chem. Phys., Vol: 18, No: 42 , published: 14 November 2016
A Grotthuss-like proton shuttle in the anomalous C2H3+ carbocation: energetic and vibrational properties for isotopologues
Junjie Li, Alexander B. Pacheco, Krishnan Raghavachari and Srinivasan S. Iyengar
Phys. Chem. Chem. Phys., Vol: 18, No: 42 , published: 14 November 2016
Crossover from tunneling to multiphoton ionization of atoms
Michael Klaiber and John S. Briggs
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 08 November 2016
Transition path time distribution and the transition path free energy barrier
Eli Pollak
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
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
Infrared spectra of ovalene (C32H14) and hydrogenated ovalene (C32H15˙) in solid para-hydrogen
Masashi Tsuge, Mohammed Bahou, Yu-Jong Wu, Louis Allamandola and Yuan-Pern Lee
Phys. Chem. Chem. Phys., Vol: 18, No: 41 , published: 07 November 2016
Direct photoisomerization of CH2I2vs. CHBr3 in the gas phase: a joint 50 fs experimental and multireference resonance-theoretical study
Veniamin A. Borin, Sergey M. Matveev, Darya S. Budkina, Patrick Z. El-Khoury and Alexander N. Tarnovsky
Phys. Chem. Chem. Phys., Vol: 18, No: 41 , published: 07 November 2016
Quasimolecular electron promotion beyond the 1sσ and 2pπ channels in slow collisions of He2+ and He
L. Ph. H. Schmidt, M. Schöffler, C. Goihl, T. Jahnke, H. Schmidt-Böcking, and R. Dörner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 02 November 2016
Взаимодействие ридберговских атомов в циркулярных состояниях с атомами щелочноземельных элементов Ca(4s2) и Sr(5s2)
Мирончук Е.С., Нариц А.А., Лебедев В.С.
Ж. эксперим. и теор. физ., Vol: 148, No: 5 , published: 01 November 2016
All-order calculations of the spectra of superheavy elements 113 and 114
T. H. Dinh and V. A. Dzuba
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 5 , published: 01 November 2016
Effect of Intramolecular Hydrogen Bonding on Photocleavage Reaction of (3-Benzazolyl-2-hydroxy-5-methylphenyl) Methyl Acetate
Takuya Honda, Yuka Ishida, and Tatsuo Arai
Bull. Chem. Soc. Jpn., Vol: 89, No: 11 , published: 01 November 2016
Квантово-химические исследования азолов. Сообщение 9. Галогенирование тетразола по схеме отщепления—присоединения без предварительного образования N-протонированных азолиевых солей
Л. И. Беленький, А. Н. Субботин, Н. Д. Чувылкин
Изв. РАН. Сер. хим., Vol: 2016, No: 11 , published: 01 November 2016
Донорно-стабилизированные гермилиевые катионы. К схеме образования бисхелатных гермилиевых ионов на примере комплексов с лактамометильным (С,О)-хелатным лигандом — производных энантолактама
А. А. Корлюков, Е. А. Комиссаров, Е. П. Крамарова, А. Г. Шипов, Вад. В. Негребецкий, С. Ю. Быликин, Ю. И. Бауков
Изв. РАН. Сер. хим., Vol: 2016, No: 11 , published: 01 November 2016
Химические свойства 3a,6a-диаза-1,4-дифосфапенталена. Присоединение полигалогенуглеводородов
А. Н. Корнев, В. Е. Гальперин, В. В. Сущев, Ю. С. Панова, Г. К. Фукин, А. В. Черкасов, Г. А. Абакумов
Изв. РАН. Сер. хим., Vol: 2016, No: 11 , published: 01 November 2016
Бисалкильные комплексы скандия, иттрия и иттербия, стабилизированные моноанионными амидопиридиновыми лигандами
Д. М. Любов, В. Ю. Радьков, А. В. Черкасов, Г. К. Фукин, А. А. Трифонов
Изв. РАН. Сер. хим., Vol: 2016, No: 11 , published: 01 November 2016
Синтез, структура и свойства гетерометаллического молекулярного комплекса [Co2Gd(NO3)(piv)6(py)2] и координационного полимера [{CoGd(dma)2}2(bdc)5]•4DMA
А. А. Сапьяник, И. А. Луценко, М. А. Кискин, А. А. Сидоров, И. Л. Еременко, Д. Г. Самсоненко, Д. Н. Дыбцев, В. П. Федин
Изв. РАН. Сер. хим., Vol: 2016, No: 11 , published: 01 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
Forward electron emission in collisions of He2+ ions with Ar atoms with simultaneous capture of two electrons
L. Sarkadi and D. Nagy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 31 October 2016
Application of classical simulations for the computation of vibrational properties of free molecules
Denis S. Tikhonov, Dmitry I. Sharapa, Jan Schwabedissen and Vladimir V. Rybkin
Phys. Chem. Chem. Phys., Vol: 18, No: 40 , published: 28 October 2016
A comparative study of small 3d-metal oxide (FeO)n, (CoO)n, and (NiO)n clusters
G. L. Gutsev, K. G. Belay, K. V. Bozhenko, L. G. Gutsev and B. R. Ramachandran
Phys. Chem. Chem. Phys., Vol: 18, No: 40 , published: 28 October 2016
Water bridges anchored by a C–H⋯O hydrogen bond: the role of weak interactions in molecular solvation
Aditi Bhattacherjeea and Sanjay Wategaonkar
Phys. Chem. Chem. Phys., Vol: 18, No: 40 , published: 28 October 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
Resonant multiphoton ionisation probe of the photodissociation dynamics of ammonia
Adam D. Smith, Hannah M. Watts, Edward Jager, Daniel A. Horke, Emma Springate, Oliver Alexander, Cephise Cacho, Richard T. Chapman and Russell S. Minns
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
Charge-transfer and isomerization reactions of trans-4-(N-arylamino)stilbenes
Hsuan-Hsiao Yao, Hsu-Hsiang Cheng, Chao-Han Cheng, Cheng-Kai Lin, Jye-Shane Yang and I-Chia Chen
Phys. Chem. Chem. Phys., Vol: 18, No: 40 , published: 28 October 2016
Normal Auger processes with ultrashort x-ray pulses in neon
Raymond Sullivan, Junteng Jia, Álvaro Vázquez-Mayagoitia, and Antonio Picón
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 26 October 2016
Prediction of proton affinities of organic molecules using the any-particle molecular-orbital second-order proton propagator approach
Laura Pedraza-González, Jonathan Romero, Jorge Alí-Torres and Andrés Reyes
Phys. Chem. Chem. Phys., Vol: 18, No: 39 , published: 21 October 2016
Lifetimes and wave functions of ozone metastable vibrational states near the dissociation limit in a full-symmetry approach
David Lapierre, Alexander Alijah, Roman Kochanov, Viatcheslav Kokoouline, and Vladimir Tyuterev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 21 October 2016
Photoionization of neutral atoms by X waves carrying orbital angular momentum
Robert A. Müller, Daniel Seipt, Randolf Beerwerth, Marco Ornigotti, Alexander Szameit, Stephan Fritzsche, and Andrey Surzhykov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 21 October 2016
Hydrogen bonding and delocalization in the ELF analysis approach
Bernard Silvi and Henryk Ratajczak
Phys. Chem. Chem. Phys., Vol: 18, No: 39 , published: 21 October 2016
B-spline R-matrix-with-pseudostates approach for excitation and ionization of atomic oxygen by electron collisions
S. S. Tayal and Oleg Zatsarinny
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 21 October 2016
The computational prediction of Raman and ROA spectra of charged histidine tautomers in aqueous solution
Salvatore Cardamone, Beth A. Caine, Ewan Blanch, Maria G. Lizio and Paul L. A. Popelier
Phys. Chem. Chem. Phys., Vol: 18, No: 39 , published: 21 October 2016
A theoretical investigation of internal conversion in 1,2-dithiane using non-adiabatic multiconfigurational molecular dynamics
C. D. Rankine, J. P. F. Nunes, M. S. Robinson, P. D. Lane and D. A. Wann
Phys. Chem. Chem. Phys., Vol: 18, No: 39 , published: 21 October 2016
Attosecond transient-absorption spectroscopy on aligned molecules
Jens E. Bækhøj and Lars Bojer Madsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 20 October 2016
Master equation for high-precision spectroscopy
Andreas Alexander Buchheit and Giovanna Morigi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 17 October 2016
Calculation of differential cross section for dielectronic recombination with two-electron uranium
K. N. Lyashchenko and O. Yu. Andreev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 17 October 2016
Quantum effects of nuclear motion in three-particle diatomic ions
Adam L. Baskerville, Andrew W. King, and Hazel Cox
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 14 October 2016
Pseudocontact shifts from mobile spin labels
Elizaveta A. Suturina and Ilya Kuprov
Phys. Chem. Chem. Phys., Vol: 18, No: 38 , published: 14 October 2016
Ab initio molecular dynamics study of Se(IV) species in aqueous environment
Sangkha Borah and P. Padma Kumar
Phys. Chem. Chem. Phys., Vol: 18, No: 38 , published: 14 October 2016
The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective
José Manuel Guevara-Vela, Eduardo Romero-Montalvo, Aurora Costales, Ángel Martín Pendás and Tomás Rocha-Rinza
Phys. Chem. Chem. Phys., Vol: 18, No: 38 , published: 14 October 2016
Variational first hyperpolarizabilities of 2,3-naphtho-15-crown-5 ether derivatives with cation-complexing: a potential and selective cation detector
Hai-Ling Yu, Wen-Yong Wang, Bo Hong, Ying Zong, Yan-Ling Si and Zhong-Qiang Hu
Phys. Chem. Chem. Phys., Vol: 18, No: 38 , published: 14 October 2016
Infrared spectrum of the cold ortho-fluorinated protonated neurotransmitter 2-phenylethylamine: competition between NH+⋯π and NH+⋯F interactions
Markus Schütz, Aude Bouchet and Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 18, No: 38 , published: 14 October 2016
Hetero-dinuclear complexes of 3d metals with a bridging dinitrogen ligand: theoretical prediction of the characteristic features of geometry and spin multiplicity
Masayuki Nakagaki and Shigeyoshi Sakaki
Phys. Chem. Chem. Phys., Vol: 18, No: 38 , published: 14 October 2016
Complexes of Ni(II) and Cu(II) with small peptides: deciding whether to deprotonate
Robert C. Dunbar, Jonathan Martens, Giel Berden and Jos Oomens
Phys. Chem. Chem. Phys., Vol: 18, No: 38 , published: 14 October 2016
Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects
Matias R. Fagiani, Harald Knorke, Tim K. Esser, Nadja Heine, Conrad T. Wolke, Sandy Gewinner, Wieland Schöllkopf, Marie-Pierre Gaigeot, Riccardo Spezia, Mark A. Johnson and Knut R. Asmis
Phys. Chem. Chem. Phys., Vol: 18, No: 38 , published: 14 October 2016
Structures and spectroscopy of protonated ammonia clusters at different temperatures
Alhadji Malloum, Jean Jules Fifen, Zoubeida Dhaouadi, Serge Guy Nana Engo and Nejm-Eddine Jaidane
Phys. Chem. Chem. Phys., Vol: 18, No: 38 , published: 14 October 2016
Theoretical calculation of the vibrational state dependent photodetachment spectra of XH2O, X = F, Cl, Br
Wikorn Punyain and Kaito Takahashi
Phys. Chem. Chem. Phys., Vol: 18, No: 38 , published: 14 October 2016
Electron scattering from 2-methyl–1,3-butadiene, C5H8, molecules: Role of methylation
Czesław Szmytkowski, Sylwia Stefanowska, Mateusz Zawadzki, Elżbieta Ptasińska-Denga, and Paweł Możejko
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 13 October 2016
Dynamic polarizability of tungsten atoms reconstructed from fast electrical explosion of fine wires in vacuum
G. S. Sarkisov, S. E. Rosenthal, and K. W. Struve
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 12 October 2016
Single-photon emission associated with double electron capture in F9++C collisions
T. Elkafrawy, A. Simon, J. A. Tanis, and A. Warczak
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 12 October 2016
Alternative treatment for the energy-transfer and transport cross section in dressed electron-ion binary collisions
P. L. Grande
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 11 October 2016
Precision measurement of the 3dD3/22–state lifetime in a single trapped Ca+40
H. Shao, Y. Huang, H. Guan, Y. Qian, and K. Gao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 10 October 2016
Measurements of optical Feshbach resonances of Yb174 atoms
Min-Seok Kim, Jeongwon Lee, Jae Hoon Lee, Y. Shin, and Jongchul Mun
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 10 October 2016
Density functional theory and an experimentally-designed energy functional of electron density
David A. Miranda and Paulo R. Bueno
Phys. Chem. Chem. Phys., Vol: 18, No: 37 , published: 07 October 2016
Effect of a triplet to singlet state interaction on photofragmentation dynamics: highly excited states of HBr probed by VMI and REMPI as a case study
Pavle Glodic, Dimitris Zaouris, Peter C. Samartzis, Arnar Hafliðason and Ágúst Kvaran
Phys. Chem. Chem. Phys., Vol: 18, No: 37 , published: 07 October 2016
Multiple-decker and ring sandwich formation of manganese–benzene organometallic cluster anions: MnnBzn (n = 1–5 and 18)
Tsugunosuke Masubuchi, Takeshi Iwasa and Atsushi Nakajima
Phys. Chem. Chem. Phys., Vol: 18, No: 37 , published: 07 October 2016
Dichlorophosphanyl isocyanate – spectroscopy, conformation and molecular structure in the gas phase and the solid state
Dingqing Li, Jan Schwabedissen, Hans-Georg Stammler, Norbert W. Mitzel, Helge Willner and Xiaoqing Zeng
Phys. Chem. Chem. Phys., Vol: 18, No: 37 , published: 07 October 2016
Aromatic embedding wins over classical hydrogen bonding – a multi-spectroscopic approach for the diphenyl ether–methanol complex
Chris Medcraft, Sabrina Zinn, Melanie Schnell, Anja Poblotzki, Jonas Altnöder, Matthias Heger, Martin A. Suhm, Dominic Bernhard, Anke Stamm, Fabian Dietrich and Markus Gerhards
Phys. Chem. Chem. Phys., Vol: 18, No: 37 , published: 07 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
Radiative cooling of H3O+ and its deuterated isotopologues
Vladlen V. Melnikov, Sergei N. Yurchenko, Jonathan Tennyson and Per Jensen
Phys. Chem. Chem. Phys., Vol: 18, No: 37 , published: 07 October 2016
Imaging of the umbrella motion and tunneling in ammonia molecules by strong-field ionization
Johann Förster, Etienne Plésiat, Álvaro Magaña, and Alejandro Saenz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 05 October 2016
Ground-state Landé g factors for selected ions along the boron isoelectronic sequence
J. P. Marques, P. Indelicato, F. Parente, J. M. Sampaio, and J. P. Santos
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 04 October 2016
Ionization potentials of superheavy elements No, Lr, and Rf and their ions
V. A. Dzuba, M. S. Safronova, U. I. Safronova, and A. Kramida
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 4 , published: 03 October 2016
Photodissociation dynamics of dinitrite at 355 nm: initiation of a reactive pathway
Lingxuan Wang and Lily Zu
Phys. Chem. Chem. Phys., Vol: 18, No: 36 , published: 28 September 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
The effect of halide and iodate anions on the hydrogen-bonding network of water in aqueous nanodrops
Satrajit Chakrabarty and Evan R. Williams
Phys. Chem. Chem. Phys., Vol: 18, No: 36 , published: 28 September 2016
EPR characterization of Mn(II) complexes for distance determination with pulsed dipolar spectroscopy
Katharina Keller, Michal Zalibera, Mian Qi, Vanessa Koch, Julia Wegner, Henrik Hintz, Adelheid Godt, Gunnar Jeschke, Anton Savitsky and Maxim Yulikov
Phys. Chem. Chem. Phys., Vol: 18, No: 36 , published: 28 September 2016
An ab initio potential energy surface for the formic acid dimer: zero-point energy, selected anharmonic fundamental energies, and ground-state tunneling splitting calculated in relaxed 1–4-mode subspaces
Chen Qu and Joel M. Bowman
Phys. Chem. Chem. Phys., Vol: 18, No: 36 , published: 28 September 2016
Infrared spectra and band strengths of CH3SH, an interstellar molecule
R. L. Hudson
Phys. Chem. Chem. Phys., Vol: 18, No: 36 , published: 28 September 2016
Resonant spectra of quadrupolar anions
K. Fossez, Xingze Mao (毛兴泽), W. Nazarewicz, N. Michel, W. R. Garrett, and M. Płoszajczak
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 22 September 2016
Effective three-particle forces in polyvalent atoms
M. G. Kozlov, M. S. Safronova, S. G. Porsev, and I. I. Tupitsyn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 22 September 2016
Imaging population transfer in atoms with ultrafast electron pulses
Hua-Chieh Shao and Anthony F. Starace
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 22 September 2016
A self-consistent GW approach to the van der Waals potential for a helium dimer
Toru Shoji, Riichi Kuwahara, Shota Ono and Kaoru Ohno
Phys. Chem. Chem. Phys., Vol: 18, No: 35 , published: 21 September 2016
Theoretical insight into the wavelength-dependent photodissociation mechanism of nitric acid
Hongyan Xiao, Satoshi Maeda and Keiji Morokuma
Phys. Chem. Chem. Phys., Vol: 18, No: 35 , published: 21 September 2016
Observation of two sequential pathways of (CO2)3+ dissociation by heavy-ion impact
S. Yan, X. L. Zhu, P. Zhang, X. Ma, W. T. Feng, Y. Gao, S. Xu, Q. S. Zhao, S. F. Zhang, D. L. Guo, D. M. Zhao, R. T. Zhang, Z. K. Huang, H. B. Wang, and X. J. Zhang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 21 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
Effect of aromatic ring fluorination on CH⋯π interactions: microwave spectrum and structure of the 1,2-difluorobenzene⋯acetylene dimer
Anuradha G. Akmeemana, Justin M. Kang, Rachel E. Dorris, Rebecca D. Nelson, Ashley M. Anderton, Rebecca A. Peebles, Sean A. Peebles, Nathan A. Seifert and Brooks H. Pate
Phys. Chem. Chem. Phys., Vol: 18, No: 35 , published: 21 September 2016
Insight into the pseudo π-hole interactions in the M3H6⋯(NCF)n (M = C, Si, Ge, Sn, Pb; n = 1, 2, 3) complexes
Wei Li, Yanli Zeng, Xiaoyan Li, Zheng Sun and Lingpeng Meng
Phys. Chem. Chem. Phys., Vol: 18, No: 35 , published: 21 September 2016
Characterizing a nonclassical carbene with coupled cluster methods: cyclobutylidene
Xiao Wang, Jay Agarwal and Henry F. Schaefer III
Phys. Chem. Chem. Phys., Vol: 18, No: 35 , published: 21 September 2016
Spectroscopy and dynamics of double proton transfer in formic acid dimer
Kasper Mackeprang, Zhen-Hao Xu, Zeina Maroun, Markus Meuwly and Henrik G. Kjaergaard
Phys. Chem. Chem. Phys., Vol: 18, No: 35 , published: 21 September 2016
Magic wavelength for the hydrogen 1S2S transition: Contribution of the continuum and the reduced-mass correction
C. M. Adhikari, A. Kawasaki, and U. D. Jentschura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 20 September 2016
Application of a grid numerical method to calculate state-selective cross sections for electron capture in Be4++H(1s) collisions
A. Jorge, J. Suárez, Clara Illescas, L. F. Errea, and L. Méndez
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 19 September 2016
Algebraic theory of endohedrally confined diatomic molecules: Application to H2@C60
Lorenzo Fortunato and Francisco Pérez-Bernal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 14 September 2016
Tracing few-femtosecond photodissociation dynamics on molecular oxygen with a single-color pump-probe scheme in the VUV
Oliver Schepp, Arne Baumann, Dimitrios Rompotis, Thomas Gebert, Armin Azima, Marek Wieland, and Markus Drescher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 13 September 2016
Spin and spatial dynamics in electron-impact scattering off S-wave He using R-matrix-with-time-dependence theory
Jack Wragg and Hugo W. van der Hart
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 13 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
Relativistic many-body calculation of energies, lifetimes, polarizabilities, blackbody radiative shift, and hyperfine constants in Lu2+
U. I. Safronova, M. S. Safronova, and W. R. Johnson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 08 September 2016
Chiral rotational spectroscopy
Robert P. Cameron, Jörg B. Götte, and Stephen M. Barnett
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 08 September 2016
Simple model for analyzing Efimov energy and three-body recombination of three identical bosons with van der Waals interactions
Jing-Lun Li, Xue-Jin Hu, Yong-Chang Han, and Shu-Lin Cong
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 08 September 2016
Hyperfine splitting in a true muonium to O(mμα6): Two-photon-annihilation contribution from other flavors
Yao Ji and Henry Lamm
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 08 September 2016
Theoretical investigation of the broad one-photon absorption line-shape of a flexible symmetric carbazole derivative
Yanli Liu, Javier Cerezo, Fabrizio Santoro, Antonio Rizzo, Na Lin and Xian Zhao
Phys. Chem. Chem. Phys., Vol: 18, No: 33 , published: 07 September 2016
Rovibrational transitions of the methane–water dimer from intermolecular quantum dynamical computations
János Sarka, Attila G. Császár, Stuart C. Althorpe, David J. Wales and Edit Mátyus
Phys. Chem. Chem. Phys., Vol: 18, No: 33 , published: 07 September 2016
Investigation on the neutral and anionic BxAlyH2 (x + y = 7, 8, 9) clusters using density functional theory combined with photoelectron spectroscopy
Li-Ping Ding, Peng Shao, Cheng Lu, Fang-Hui Zhang, Lei Ding and Tao Li Yuan
Phys. Chem. Chem. Phys., Vol: 18, No: 33 , published: 07 September 2016
Solvent-dependent singlet oxygen lifetimes: temperature effects implicate tunneling and charge-transfer interactions
Mikkel Bregnhøj, Michael Westberg, Frank Jensen and Peter R. Ogilby
Phys. Chem. Chem. Phys., Vol: 18, No: 33 , published: 07 September 2016
Direct observation of slow intersystem crossing in an aromatic ketone, fluorenone
Benoît Soep, Jean-Michel Mestdagh, Marc Briant, Marc-André Gaveau and Lionel Poisson
Phys. Chem. Chem. Phys., Vol: 18, No: 33 , published: 07 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
Decay processes and radiative cooling of small anionic copper clusters
Christian Breitenfeldt, Klaus Blaum, Michael W. Froese, Sebastian George, Gregorio Guzmán-Ramírez, Michael Lange, Sebastian Menk, Lutz Schweikhard, and Andreas Wolf
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 07 September 2016
Concentric dual π aromaticity in bowl-like B30 cluster: an all-boron analogue of corannulene
Kang Wang, Da-Zhi Li, Rui Li, Lin-Yan Feng, Ying-Jin Wang and Hua-Jin Zhai
Phys. Chem. Chem. Phys., Vol: 18, No: 33 , published: 07 September 2016
Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals
Paul R. Horn, Yuezhi Mao and Martin Head-Gordon
Phys. Chem. Chem. Phys., Vol: 18, No: 33 , published: 07 September 2016
Low-energy electron scattering from cyanamide
Kedong Wang, Shuangcheng Guo, Ju Meng, Xiaotian Huang, and Yongfeng Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 07 September 2016
Electric dipole polarizabilities of Rydberg states of alkali-metal atoms
V. A. Yerokhin, S. Y. Buhmann, S. Fritzsche, and A. Surzhykov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 06 September 2016
Heating due to momentum transfer in low-energy positronium-antiproton scattering
M. Charlton, A. S. Kadyrov, and I. Bray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 06 September 2016
Reactive two-body and three-body collisions of Ba+ in an ultracold Rb gas
Artjom Krükow, Amir Mohammadi, Arne Härter, and Johannes Hecker Denschlag
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 06 September 2016
Nondipole effects in strong-field ionization
I. A. Ivanov, J. Dubau, and Kyung Taec Kim
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 02 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
Nonlocal nonlinear response of thermal Rydberg atoms and modulational instability in an absorptive nonlinear medium
Lida Zhang (张理达) and Jörg Evers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 3 , published: 01 September 2016
Изучение структур и относительной устойчивости 1,2,7-тиадиазепан-1,1-диоксида и 1,2,7-тиадиазепан-1-оксида методом функционала плотности
Хагдади М., Амири Р., Прайс Л.С.
Изв. РАН. Сер. хим., Vol: 2016, No: 9 , published: 01 September 2016
Measurement of the scalar polarizability of the indium 6p1/2 state using two-step atomic-beam spectroscopy
Benjamin L. Augenbraun, Allison Carter, P. M. Rupasinghe, and P. K. Majumder
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 31 August 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
Influence of the initial angular distribution on strong-field molecular dissociation
Youliang Yu, Shuo Zeng, J. V. Hernández, Yujun Wang, and B. D. Esry
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 31 August 2016
Cross section for Rydberg antihydrogen production via charge exchange between Rydberg positroniums and antiprotons in a magnetic field
D. Krasnický, R. Caravita, C. Canali, and G. Testera
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 30 August 2016
Comparison of experimental and theoretical fully differential cross sections for single ionization of the 2s and 2p states of Li by O8+ ions
Ebrahim Ghanbari-Adivi, Daniel Fischer, Natalia Ferreira, Johannes Goullon, Renate Hubele, Aaron LaForge, Michael Schulz, and Don Madison
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 30 August 2016
Evolution of the energy-loss-spectrum profile with the projectile mass in impulsive ion-molecule collisions
Masato Nakamura and Atsushi Ichimura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 30 August 2016
Determination of magic wavelengths for the 7s S1/227p P3/2,1/22 transitions in Fr
Sukhjit Singh, B. K. Sahoo, and Bindiya Arora
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 29 August 2016
Momentum distribution of positronium and its interactions with oxygen molecules studied by coincidence Doppler broadening spectroscopy
Yawei Zhou, Jingjing Li, Chongshan Yin, Wenfeng Mao, Juncheng Wang, and Chunqing He
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 29 August 2016
Maximizing hole coherence in ultrafast photoionization of argon with an optimization by sequential parametrization update
R. Esteban Goetz, Maximilian Merkel, Antonia Karamatskou, Robin Santra, and Christiane P. Koch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 29 August 2016
Revisiting an old concept: the coupled oscillator model for VCD. Part 1: the generalised coupled oscillator mechanism and its intrinsic connection to the strength of VCD signals
Valentin Paul Nicu
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Origin of the step structure of molecular exchange–correlation potentials
Sviataslau V. Kohut, Alexander M. Polgar and Viktor N. Staroverov
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Time-dependent Dyson orbital theory
O. V. Gritsenko and E. J. Baerends
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Analytical gradients for excitation energies from frozen-density embedding
Arseny Kovyrshin and Johannes Neugebauer
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
Time-dependent density functional theory beyond Kohn–Sham Slater determinants
Johanna I. Fuks, Søren E. B. Nielsen, Michael Ruggenthaler and Neepa T. Maitra
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 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
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
Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved
Stig Rune Jensen, Tor Flå, Dan Jonsson, Rune Sørland Monstad, Kenneth Ruud and Luca Frediani
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
The fragment molecular orbital method combined with density-functional tight-binding and the polarizable continuum model
Yoshio Nishimoto and Dmitri G. Fedorov
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
Complete analytic anharmonic hyper-Raman scattering spectra
Yann Cornaton, Magnus Ringholm and Kenneth Ruud
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
On the physical origins of interaction-induced vibrational (hyper)polarizabilities
Robert Zaleśny, Marc Garcia-Borràs, Robert W. Góra, Miroslav Medved' and Josep M. Luis
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
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
Photofragmentation mechanisms in protonated chiral cinchona alkaloids
Sunil Kumar, Bruno Lucas, Jacqueline Fayeton, Debora Scuderi, Ivan Alata, Michel Broquier, Katia Le Barbu-Debus, Valeria Lepère and Anne Zehnacker
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
Revisiting an old concept: the coupled oscillator model for VCD. Part 2: implications of the generalised coupled oscillator mechanism for the VCD robustness concept
Valentin Paul Nicu
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
Planar vs. three-dimensional X62−, X2Y42−, and X3Y32− (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the turn-upside-down approach
Ouissam El Bakouri, Miquel Solà and Jordi Poater
Phys. Chem. Chem. Phys., Vol: 18, No: 31 , published: 28 August 2016
π–π stacking between polyaromatic hydrocarbon sheets beyond dispersion interactions
Nadeesha J. Silva, Francisco B. C. Machado, Hans Lischka and Adelia J. A. Aquino
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
DNA-stabilized Ag–Au bimetallic clusters: the effects of alloying and embedding on optical properties
Dennis Palagin and Jonathan P. K. Doye
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
A molecular mechanical model for N-heterocyclic carbenes
Sascha Gehrke and Oldamur Hollóczki
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
Hydrogen bond competition in the ethanol–methanol dimer
Ian A. Finneran, P. Brandon Carroll, Griffin J. Mead and Geoffrey A. Blake
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , 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
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
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
A 1 + 1′ resonance-enhanced multiphoton ionization scheme for rotationally state-selective detection of formaldehyde via the à 1A2[X with combining tilde] 1A1 transition
G. Barratt Park, Bastian C. Krüger, Sven Meyer, Alec M. Wodtke and Tim Schäfer
Phys. Chem. Chem. Phys., Vol: 18, No: 32 , published: 28 August 2016
Light trapping in an ensemble of pointlike impurity centers in a Fabry-Perot cavity
A. S. Kuraptsev and I. M. Sokolov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 22 August 2016
Water fragmentation by bare and dressed light ions with MeV energies: Fragment-ion-energy and time-of-flight distributions
W. Wolff, H. Luna, R. Schuch, N. D. Cariatore, S. Otranto, F. Turco, D. Fregenal, G. Bernardi, and S. Suárez
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 22 August 2016
Theory of noncontact friction for atom-surface interactions
U. D. Jentschura, M. Janke, and M. DeKieviet
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 18 August 2016
Benchmarking a modified version of the civ3 nonrelativistic atomic-structure code within Na-like-tungsten R-matrix calculations
M. D. Turkington, C. P. Ballance, A. Hibbert, and C. A. Ramsbottom
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 17 August 2016
Switching classical trajectory Monte Carlo method to describe two-active-electron collisions
A. Jorge, Clara Illescas, L. Méndez, and B. Pons
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 17 August 2016
Theoretical study of mutual neutralization in He++H collisions
Åsa Larson, Sifiso M. Nkambule, and Ann E. Orel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 17 August 2016
Two-particle atomic coalescences: Boundary conditions for the Fock coefficient components
Evgeny Z. Liverts
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 15 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
Thermodynamic model for electron emission and negative- and positive-ion formation in keV molecular collisions
Z. Juhász
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 15 August 2016
Excited states in large molecular systems through polarizable embedding
Nanna Holmgaard List, Jógvan Magnus Haugaard Olsen and Jacob Kongsted
Phys. Chem. Chem. Phys., Vol: 18, No: 30 , published: 14 August 2016
Transition from exohedral to endohedral structures of AuGen (n = 2–12) clusters: photoelectron spectroscopy and ab initio calculations
Sheng-Jie Lu, Lian-Rui Hu, Xi-Ling Xu, Hong-Guang Xu, Hui Chen and Wei-Jun Zheng
Phys. Chem. Chem. Phys., Vol: 18, No: 30 , published: 14 August 2016
Nonadiabatic dynamics of floppy hydrogen bonded complexes: the case of the ionized ammonia dimer
Jan Chalabala and Petr Slavíček
Phys. Chem. Chem. Phys., Vol: 18, No: 30 , published: 14 August 2016
Hydrogen bonding induced distortion of CO3 units and kinetic stabilization of amorphous calcium carbonate: results from 2D 13C NMR spectroscopy
Sabyasachi Sen, Derrick C. Kaseman, Bruno Colas, Dorrit E. Jacob and Simon M. Clark
Phys. Chem. Chem. Phys., Vol: 18, No: 30 , published: 14 August 2016
Hydrogen bonding induced distortion of CO3 units and kinetic stabilization of amorphous calcium carbonate: results from 2D 13C NMR spectroscopy
Sabyasachi Sen, Derrick C. Kaseman, Bruno Colas, Dorrit E. Jacob and Simon M. Clark
Phys. Chem. Chem. Phys., Vol: 18, No: 30 , published: 14 August 2016
Electrostatically enhanced F⋯F interactions through hydrogen bonding, halogen bonding and metal coordination: an ab initio study
Antonio Bauzá and Antonio Frontera
Phys. Chem. Chem. Phys., Vol: 18, No: 30 , published: 14 August 2016
Double deuterated acetylacetone in neon matrices: infrared spectroscopy, photoreactivity and the tunneling process
Alejandro Gutiérrez-Quintanilla, Michèle Chevalier and Claudine Crépin
Phys. Chem. Chem. Phys., Vol: 18, No: 30 , published: 14 August 2016
The unique Raman fingerprint of boron nitride substitution patterns in graphene
Lorenzo Maschio, Marco Lorenz, Daniele Pullini, Mauro Sgroi and Bartolomeo Civalleri
Phys. Chem. Chem. Phys., Vol: 18, No: 30 , published: 14 August 2016
A ‘bottom up’, ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs
Barbara Marchetti, Tolga N. V. Karsili, Michael N. R. Ashfold and Wolfgang Domcke
Phys. Chem. Chem. Phys., Vol: 18, No: 30 , published: 14 August 2016
Ultrafast excited-state dynamics of isocytosine
Rafał Szabla, Robert W. Góra and Jiří Šponer
Phys. Chem. Chem. Phys., Vol: 18, No: 30 , published: 14 August 2016
Scattering framework for two particles with isotropic spin-orbit coupling applicable to all energies
Q. Guan and D. Blume
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 12 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
Analytic calculation of the edge components of the angular Fock coefficients
Evgeny Z. Liverts
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 09 August 2016
Calculations of long-range three-body interactions for Li(2S2)Li(2S2)Li(2P2)
Pei-Gen Yan, Li-Yan Tang, Zong-Chao Yan, and James F. Babb
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 09 August 2016
Confinement-induced resonances in ultracold atom-ion systems
V. S. Melezhik and A. Negretti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 08 August 2016
Wave-packet continuum-discretization approach to ion-atom collisions: Nonrearrangement scattering
I. B. Abdurakhmanov, A. S. Kadyrov, and I. Bray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 08 August 2016
Hydrogen bond cooperativity and anticooperativity within the water hexamer
José Manuel Guevara-Vela, Eduardo Romero-Montalvo, Víctor Arturo Mora Gómez, Rodrigo Chávez-Calvillo, Marco García-Revilla, Evelio Francisco, Ángel Martín Pendás and Tomás Rocha-Rinza
Phys. Chem. Chem. Phys., Vol: 18, No: 29 , published: 07 August 2016
Non-linear photoelectron effect contributes to the formation of negative matrix ions in UV-MALDI
E. Alonso and R. Zenobi
Phys. Chem. Chem. Phys., Vol: 18, No: 29 , published: 07 August 2016
Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H2O)n, n = 8, 20 and 24
Suehiro Iwata, Dai Akase, Misako Aida and Sotiris S. Xantheas
Phys. Chem. Chem. Phys., Vol: 18, No: 29 , published: 07 August 2016
Ab initio studies on the spin-forbidden cooling transitions of the LiRb molecule
Yang You, Chuan-Lu Yang, Qing-Qing Zhang, Mei-Shan Wang, Xiao-Guang Ma and Wen-Wang Liu
Phys. Chem. Chem. Phys., Vol: 18, No: 29 , published: 07 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
Dissociative recombination of N2H+
S. Fonseca dos Santos, V. Ngassam, A. E. Orel, and Å. Larson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 05 August 2016
Weighted difference of g factors of light Li-like and H-like ions for an improved determination of the fine-structure constant
V. A. Yerokhin, E. Berseneva, Z. Harman, I. I. Tupitsyn, and C. H. Keitel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 03 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
Effect of higher-order multipole moments on the Stark line shape
T. A. Gomez, T. Nagayama, D. P. Kilcrease, M. H. Montgomery, and D. E. Winget
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 02 August 2016
Релятивистский эффект Яна-Теллера Gg[3/2]×(t2g + eg) в кубических и октаэдрических молекулах
Полуянов Л.В., Волохов В.М.
Изв. РАН. Сер. хим., Vol: 2016, No: 8 , published: 01 August 2016
Low-energy photodetachment of Ga and elastic electron scattering from neutral Ga
Kedong Wang, Oleg Zatsarinny, and Klaus Bartschat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 2 , published: 01 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
Pleospdione, A Tricyclic Natural Product with Dense Oxygenation at the A-Ring: Total Synthesis and Incongruity of the Originally Assigned Structure and its C3-Epimer
Hiroshi Takikawa, Yui Ishikawa, Yuki Yoshinaga, Yoshimitsu Hashimoto, Takenori Kusumi, Keisuke Suzuki
Bull. Chem. Soc. Jpn., Vol: 89, No: 8 , published: 01 August 2016
Квантово-химические подходы к изучению связи Fe-S в эфирах Руссена: реакция замещения функциональных лигандов на глутатион
Емельянова Н.С., Санина Н.А., Алдошин С.М.
Изв. РАН. Сер. хим., Vol: 2016, No: 8 , published: 01 August 2016
Theoretical Study of the Mechanism for Direct Addition of Hydride to CO2 on Ruthenium Complexes: Nature of Ru–H Bond and Effect of Hydrogen Bonding
Jun Li, Sha Liu, Xiaohua Lu
Bull. Chem. Soc. Jpn., Vol: 89, No: 8 , published: 01 August 2016
Activation of C–S Bond by Group 10 Metal Complexes: Reaction of Phosphine Ligand Tethered with Three tert-Butylthiophenyl Groups with Group 10 Metal Compounds
Nobuhiro Takeda, Yusuke Tanaka, Rin Oma, Fumiaki Sakakibara, and Masafumi Unno
Bull. Chem. Soc. Jpn., Vol: 89, No: 8 , published: 01 August 2016
Stretching and bending dynamics in triatomic ultralong-range Rydberg molecules
Christian Fey, Markus Kurz, and Peter Schmelcher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 28 July 2016
Hückel–Hubbard–Ohno modeling of π-bonds in ethene and ethyne with application to trans-polyacetylene
Máté Timár, Gergely Barcza, Florian Gebhard, Libor Veis and Örs Legeza
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
Photoelectron spectroscopic and computational study of the PtMgH3,5 cluster anions
Xinxing Zhang, Gerd Ganteför, Anastassia N. Alexandrova and Kit Bowen
Phys. Chem. Chem. Phys., Vol: 18, No: 28 , published: 28 July 2016
Mechanism of Co–C photodissociation in adenosylcobalamin
Brady D. Garabato, Piotr Lodowski, Maria Jaworska and Pawel M. Kozlowski
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
Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations
Mingjun Yang, Thibault Angles d’Ortoli, Elin Säwén, Madhurima Jana, Göran Widmalm and Alexander D. MacKerell
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
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
Vibrationally resolved electron-nuclear energy sharing in above-threshold multiphoton dissociation of CO
Xufei Sun, Min Li, Yun Shao, Ming-Ming Liu, Xiguo Xie, Yongkai Deng, Chengyin Wu, Qihuang Gong, and Yunquan Liu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 26 July 2016
Propagation of intense and short circularly polarized pulses in a molecular gas: From multiphoton ionization to nonlinear macroscopic effects
M. Lytova, E. Lorin, and A. D. Bandrauk
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 25 July 2016
Photon-energy dependence of single-photon simultaneous core ionization and core excitation in CO2
S. Carniato, P. Selles, P. Lablanquie, J. Palaudoux, L. Andric, M. Nakano, Y. Hikosaka, K. Ito, T. Marchenko, O. Travnikova, G. Goldsztejn, L. Journel, R. Guillemin, D. Céolin, M. Simon, M. N. Piancastelli, and F. Penent
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 20 July 2016
Ionization of small molecules induced by H+, He+, and N+ projectiles: Comparison of experiment with quantum and classical calculations
S. T. S. Kovács, P. Herczku, Z. Juhász, L. Sarkadi, L. Gulyás, and B. Sulik
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 20 July 2016
Semiclassical two-step model for strong-field ionization
N. I. Shvetsov-Shilovski, M. Lein, L. B. Madsen, E. Räsänen, C. Lemell, J. Burgdörfer, D. G. Arbó, and K. Tőkési
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 19 July 2016
Two-electron processes in multiple ionization under strong soft-x-ray radiation
M. Ilchen, T. Mazza, E. T. Karamatskos, D. Markellos, S. Bakhtiarzadeh, A. J. Rafipoor, T. J. Kelly, N. Walsh, J. T. Costello, P. O'Keeffe, N. Gerken, M. Martins, P. Lambropoulos, and M. Meyer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 18 July 2016
Characteristic infrared intensities of carbonyl stretching vibrations
Wagner E. Richter, Arnaldo F. Silva, Luciano N. Vidal and Roy E. Bruns
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
Examining the structural evolution of bicarbonate–water clusters: insights from photoelectron spectroscopy, basin-hopping structural search, and comparison with available IR spectral studies
Hui Wen, Gao-Lei Hou, Yi-Rong Liu, Xue-Bin Wang and Wei Huang
Phys. Chem. Chem. Phys., Vol: 18, No: 26 , published: 14 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
Anomalous magnetic hyperfine structure of the Th229 ground-state doublet in muonic atoms
E. V. Tkalya
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 13 July 2016
Spectrum, radial wave functions, and hyperfine splittings of the Rydberg states in heavy alkali-metal atoms
Ali Sanayei and Nils Schopohl
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 12 July 2016
Production of NaCa+ molecular ions in the ground state from cold atom-ion mixtures by photoassociation via an intermediate state
Marko Gacesa, John A. Montgomery, Jr., H. Harvey Michels, and Robin Côté
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 11 July 2016
Photoisomerization of azobenzenes isolated in cryogenic matrices
Luís Duarte, Leonid Khriachtchev, Rui Fausto and Igor Reva
Phys. Chem. Chem. Phys., Vol: 18, No: 25 , published: 07 July 2016
Imaging the photodissociation dynamics of the methyl radical from the 3s and 3pz Rydberg states
Sonia Marggi Poullain, David V. Chicharro, Alexandre Zanchet, Marta G. González, Luis Rubio-Lago, María L. Senent, Alberto García-Vela and Luis Bañares
Phys. Chem. Chem. Phys., Vol: 18, No: 25 , published: 07 July 2016
Analysis of the fine structure of Sn11+Sn14+ ions by optical spectroscopy in an electron-beam ion trap
A. Windberger, F. Torretti, A. Borschevsky, A. Ryabtsev, S. Dobrodey, H. Bekker, E. Eliav, U. Kaldor, W. Ubachs, R. Hoekstra, J. R. Crespo López-Urrutia, and O. O. Versolato
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 07 July 2016
Internal electric fields in small water clusters [(H2O)n; n = 2–6]
Saumik Sen, Manjusha Boda, S. Venkat Lata and G. Naresh Patwari
Phys. Chem. Chem. Phys., Vol: 18, No: 25 , published: 07 July 2016
Structure of cobalt protoporphyrin chloride and its dimer, observation and DFT modeling
Aurélien de la Lande, Minh-Huong Ha-Thi, Shufeng Chen, Benoît Soep and Niloufar Shafizadeh
Phys. Chem. Chem. Phys., Vol: 18, No: 25 , published: 07 July 2016
Flexibility unleashed in acyclic monoterpenes: conformational space of citronellal revealed by broadband rotational spectroscopy
Sérgio R. Domingos, Cristóbal Pérez, Chris Medcraft, Pablo Pinacho and Melanie Schnell
Phys. Chem. Chem. Phys., Vol: 18, No: 25 , published: 07 July 2016
Magic wavelengths, matrix elements, polarizabilities, and lifetimes of Cs
M. S. Safronova, U. I. Safronova, and Charles W. Clark
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 06 July 2016
Theoretical investigation of alignment-dependent intense-field fragmentation of acetylene
Katharina Doblhoff-Dier, Markus Kitzler, and Stefanie Gräfe
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 06 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
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
Molecular structure and vibration spectra of pivalic acid
Pimenov O.A. Pogonin A.E. Zhabanov Yu.A.
Изв. вузов. Химия и хим. технол., Vol: 59, No: 7 , published: 01 July 2016
Квантово-химические исследования азолов. Сообщение 7. Влияние N-алкильного заместителя на расчетные термодинамические параметры механизма электрофильного замещения в 1H-тетразоле по схеме отщепления-присоединения без предварительного образования n-протонированных азолиевых солей
Чувылкин Н.Д., Субботин А.Н., Беленький Л.И.
Изв. РАН. Сер. хим., Vol: 2016, No: 7 , published: 01 July 2016
Квантово-химические исследования азолов. Сообщение 8. Влияние N(2)-метильного заместителя на расчетные термодинамические параметры механизма электрофильного замещения в тетразоле по схеме отщепления-присоединения без предварительного образования N-протонированных азолиевых солей
Беленький Л.И., Субботин А.Н., Чувылкин Н.Д.
Изв. РАН. Сер. хим., Vol: 2016, 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 свойства новых пространственно-экранированных катехолальдиминов на основе гидразинов
Арсеньев М.В., Хамалетдинова Н.М., Баранов Е.В., Чесноков С.А., Черкасов В.К.
Изв. РАН. Сер. хим., Vol: 2016, No: 7 , published: 01 July 2016
Сольватное окружение иона лития в системе LiBF4-пропиленкарбонат в присутствии ионной жидкости тетрафторборат 3-метил-1-этилимидазолия по данным ЯМР и квантово-химического моделирования
Тулибаева Г.З., Черняк А.В., Шестаков А.Ф., Волков В.И., Ярмоленко О.В.
Изв. РАН. Сер. хим., Vol: 2016, No: 7 , published: 01 July 2016
Синтез, структура и каталитическая активность новых комплексов алюминия и титана на основе аминобисфенолятных лигандов, содержащих объемные заместители
Кучук Е.А., Зайцев К.В., Мамедова Ф.А., Чураков А.В., Зайцева Г.С., Леменовский Д.А., Карлов С.С.
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
Синтез новых (η5-циклопентадиенил)марганецтрикарбонильных комплексов изоксазолидинов реакцией 1,3-диполярного циклоприсоединения
Заровкина Н.Ю., Сазонова Е.В., Артемов А.Н., Фукин Г.К.
Изв. РАН. Сер. хим., Vol: 2016, No: 7 , published: 01 July 2016
Core correlation effects in multiconfiguration calculations of isotope shifts in Mg i
Livio Filippin, Michel Godefroid, Jörgen Ekman, and Per Jönsson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 29 June 2016
Measurement of Rydberg positronium fluorescence lifetimes
A. Deller, A. M. Alonso, B. S. Cooper, S. D. Hogan, and D. B. Cassidy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 29 June 2016
Electron-impact ionization of W27+
M. S. Pindzola and S. D. Loch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 29 June 2016
An investigation on the structure, spectroscopy and thermodynamic aspects of Br2(−)(H2O)n clusters using a conjunction of stochastic and quantum chemical methods
Pulak Naskar and Pinaki Chaudhury
Phys. Chem. Chem. Phys., Vol: 18, No: 24 , published: 28 June 2016
Search for aromatic anions in the P2E3 (E = N, P, As, Sb, Bi) series
Anton S. Nizovtsev
Phys. Chem. Chem. Phys., Vol: 18, No: 24 , published: 28 June 2016
NMR absolute shielding scale and nuclear magnetic dipole moment of 207Pb
Bożena Adrjan, Włodzimierz Makulski, Karol Jackowski, Taye B. Demissie, Kenneth Ruud, Andrej Antušek and Michał Jaszuński
Phys. Chem. Chem. Phys., Vol: 18, No: 24 , published: 28 June 2016
Are fragment-based quantum chemistry methods applicable to medium-sized water clusters?
Dandan Yuan, Xiaoling Shen, Wei Li and Shuhua Li
Phys. Chem. Chem. Phys., Vol: 18, No: 24 , published: 28 June 2016
Magnetic-sublevel-independent magic wavelengths: Application to Rb and Cs atoms
Sukhjit Singh, B. K. Sahoo, and Bindiya Arora
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 24 June 2016
Quantum and classical dynamics of H + CaCl(X 2Σ+) → HCl + Ca(1S) reaction and vibrational energy levels of the HCaCl complex
Rui Shan Tan, Huan Chen Zhai, Feng Gao, Dianmin Tong and Shi Ying Lin
Phys. Chem. Chem. Phys., Vol: 18, No: 23 , published: 21 June 2016
Probing and extracting the structure of vibrating SF6 molecules with inner-shell photoelectrons
Ngoc-Ty Nguyen, R. R. Lucchese, C. D. Lin, and Anh-Thu Le
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 21 June 2016
Chemical bonding and dynamic fluxionality of a B15+ cluster: a nanoscale double-axle tank tread
Ying-Jin Wang, Xue-Rui You, Qiang Chen, Lin-Yan Feng, Kang Wang, Ting Ou, Xiao-Yun Zhao, Hua-Jin Zhai and Si-Dian Li
Phys. Chem. Chem. Phys., Vol: 18, No: 23 , published: 21 June 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
The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations
Natalja Vogt, Jean Demaison, Emilio J. Cocinero, Patricia Écija, Alberto Lesarri, Heinz Dieter Rudolph and Jürgen Vogt
Phys. Chem. Chem. Phys., Vol: 18, No: 23 , published: 21 June 2016
Stiff-stilbene photoswitch ruptures bonds not by pulling but by local heating
Tim Stauch and Andreas Dreuw
Phys. Chem. Chem. Phys., Vol: 18, No: 23 , published: 21 June 2016
Microwave transitions from pairs of Rb nd5/2nd5/2 atoms
Jeonghun Lee and T. F. Gallagher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 20 June 2016
Comparison of experimental and theoretical triple differential cross sections for the single ionization of CO2 (1πg) by electron impact
Zehra N. Ozer, Esam Ali, Mevlut Dogan, Murat Yavuz, Osman Alwan, Adnan Naja, Ochbadrakh Chuluunbaatar, Boghos B. Joulakian, Chuan-Gang Ning, James Colgan, and Don Madison
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 20 June 2016
Coherent control of the dissociation probability of H2+ in ω-3ω two-color fields
Han Xu, Hongtao Hu, Xiao-Min Tong, Peng Liu, Ruxin Li, Robert T. Sang, and Igor V. Litvinyuk
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 17 June 2016
Angular anisotropy of time delay in XUV+IR photoionization of H2+
Vladislav V. Serov and A. S. Kheifets
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 17 June 2016
H+H2O collisions studied by time-dependent density-functional theory combined with the molecular dynamics method
Xuhai Hong, Feng Wang, Yong Wu, Bingcong Gou, and Jianguo Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 15 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
Nuclear size effects in vibrational spectra
Adel Almoukhalalati, Avijit Shee and Trond Saue
Phys. Chem. Chem. Phys., Vol: 18, No: 22 , published: 14 June 2016
Photoelectron recapture and reemission process associated with double Auger decay in Ar
Y. Hikosaka, R. Mashiko, T. Odagiri, J. Adachi, H. Tanaka, T. Kosuge, and K. Ito
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 14 June 2016
Electric dipole moments of superheavy elements: A case study on copernicium
Laima Radžiūtė, Gediminas Gaigalas, Per Jönsson, and Jacek Bieroń
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , 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
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
UV laser photoactivation of hexachloroplatinate bound to individual nucleobases in vacuo as molecular level probes of a model photopharmaceutical
Edward Matthews, Ananya Sen, Naruo Yoshikawa, Ed Bergström and Caroline E. H. Dessent
Phys. Chem. Chem. Phys., Vol: 18, No: 22 , published: 14 June 2016
Structural investigations on a linear isolated depsipeptide: the importance of dispersion interactions
A. Stamm, D. Bernhard and M. Gerhards
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
Vacuum ultraviolet photodissociation of hydrogen bromide
Shu Su, Yvonne Dorenkamp, Shengrui Yu, Alec M. Wodtke, Dongxu Dai, Kaijun Yuan and Xueming Yang
Phys. Chem. Chem. Phys., Vol: 18, No: 22 , published: 14 June 2016
Protonation induces base rotation of purine nucleotides pdGuo and pGuo
R. R. Wu, C. C. He, L. A. Hamlow, Y.-w. Nei, G. Berden, J. Oomens and M. T. Rodgers
Phys. Chem. Chem. Phys., Vol: 18, No: 22 , published: 14 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
Kinematically complete study of low-energy electron-impact ionization of argon: Internormalized cross sections in three-dimensional kinematics
Xueguang Ren, Sadek Amami, Oleg Zatsarinny, Thomas Pflüger, Marvin Weyland, Alexander Dorn, Don Madison, and Klaus Bartschat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 13 June 2016
Experimental and theoretical triple-differential cross sections for tetrahydrofuran ionized by low-energy 26-eV-electron impact
Esam Ali, XueGuang Ren, Alexander Dorn, Chuangang Ning, James Colgan, and Don Madison
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 13 June 2016
Collisional shift and broadening of the transition lines in pionic helium
Boyan Obreshkov and Dimitar Bakalov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 08 June 2016
Autoionization in time-dependent density-functional theory
V. Kapoor
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 08 June 2016
Inner-shell electron effects in strong-field double ionization of Xe
Zongqiang Yuan, Difa Ye, Jie Liu, and Libin Fu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 08 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
Tracking dissociation dynamics of strong-field ionized 1,2-dibromoethane with femtosecond XUV transient absorption spectroscopy
Adam S. Chatterley, Florian Lackner, Daniel M. Neumark, Stephen R. Leone and Oliver Gessner
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
Self-assembly of hydrogen-bonded supramolecular complexes of nucleic-acid-base and fatty-acid at the liquid–solid interface
Huiling Zhao, Xin Song, Hüsnü Aslan, Bo Liu, Jianguo Wang, Li Wang, Flemming Besenbacher and Mingdong Dong
Phys. Chem. Chem. Phys., Vol: 18, No: 21 , published: 07 June 2016
Collisions of slow electrons with SiF4 and GeF4: Shape resonance, Ramsauer-Townsend minimum, and virtual state
G. M. Moreira and M. H. F. Bettega
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , 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
A DFT study of 2-aminopurine-containing dinucleotides: prediction of stacked conformations with B-DNA structure
Darren A. Smith, Leo F. Holroyd, Tanja van Mourik and Anita C. Jones
Phys. Chem. Chem. Phys., Vol: 18, No: 21 , published: 07 June 2016
A closer examination of the coupling between ionic hydrogen bond (IHB) stretching and flanking group motions in (CH3OH)2H+: the strong isotope effects
Jake A. Tan and Jer-Lai Kuo
Phys. Chem. Chem. Phys., Vol: 18, No: 21 , published: 07 June 2016
МЕТОД РАСЧЕТА ЭЛЕКТРОННЫХ СОСТОЯНИЙ БОЛЬШИХ МОЛЕКУЛ С ИСПОЛЬЗОВАНИЕМ ОДНОЦЕНТРОВЫХ ФУНКЦИЙ ФРАГМЕНТОВ
Грибов Л.А.
Докл. РАН, Vol: 471, No: 6 , published: 06 June 2016
Calculation of Ar photoelectron satellites in the hard-x-ray region
V. G. Yarzhemsky and M. Ya. Amusia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 06 June 2016
Rotational relaxation of fluoromethane molecules in low-temperature collisions with buffer-gas helium
Xingjia Li, Liang Xu, Yanning Yin, Supeng Xu, Yong Xia, and Jianping Yin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 06 June 2016
Single, double, and triple Auger decay probabilities of C+(1s2s22p22D,2P) resonances
Fuyang Zhou, Yulong Ma, and Yizhi Qu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 03 June 2016
Static electric multipole susceptibilities of the relativistic hydrogenlike atom in the ground state: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
Radosław Szmytkowski and Grzegorz Łukasik
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 02 June 2016
ac Stark shift measurements of the clock transition in cold Cs atoms: Scalar and tensor light shifts of the D2 transition
G. A. Costanzo, S. Micalizio, A. Godone, J. C. Camparo, and F. Levi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 6 , published: 02 June 2016
Компьютерное моделирование эффекта спин-кроссовера в аддуктах бис-хелатов железа с O-дииминобензохинонами
Старикова А.А., Стариков А.Г., Минкин В.И.
Изв. РАН. Сер. хим., Vol: 2016, No: 6 , published: 01 June 2016
1,3,2-диазагаллольные производные переходных металлов
Федюшкин И.Л., Соколов В.Г., Макаров В.М., Черкасов А.В., Абакумов Г.А.
Изв. РАН. Сер. хим., Vol: 2016, No: 6 , published: 01 June 2016
Синтез диенов с тетрафторфениленовым мостиком на основе реакции каталитического олефинирования. Новые перспективные мономеры для конструирования молекулярных архитектур с взаимодействиями галоген-галоген
Музалевский В.М., Магеррамов А.М., Шихалиев Н.Г., Баленкова Е.С., Шастин А.В., Дороватовский П.В., Зубавичус Я.В., Хрусталев В.Н., Ненайденко В.Г.
Изв. РАН. Сер. хим., Vol: 2016, No: 6 , published: 01 June 2016
Синтез и строение 5,7-ди(трет-бутил)-2-(8-метилсульфонилоксихинолин-2-ил)-1,3-трополона
Михайлов И.Е., Колодина А.А., Душенко Г.А., Ткачев В.В., Алдошин С.М., Минкин В.И.
Докл. РАН, Vol: 468, No: 6 , published: 01 June 2016
Биметаллические 3D-4F-молекулы [MEu(Piv)5(1,10-phen)] (M = Zn2+, Co2+): синтез, строение, люминесцентные и магнитные свойства
Кискин М.А., Доброхотова Ж.В., Богомяков А.С., Козюхин С.А., Тимошенко В.Ю., Еременко И.Л.
Изв. РАН. Сер. хим., Vol: 2016, No: 6 , published: 01 June 2016
Синтез металлакарборановых комплексов рутения(II) и рутения(III) с хелатным 1,3-бис-(дифенилфоcфино)пропановым лигандом и их взаимные превращения в условиях одноэлектронных окислительно-восcтановительных реакций
Гришин И.Д., Агафонова К.С., Костюкович А.Ю., Дьячихин Д.И., Годовиков И.А., Долгушин Ф.М., Гришин Д.Ф., Чижевский И.Т.
Изв. РАН. Сер. хим., Vol: 2016, No: 6 , published: 01 June 2016
Theory of dissociative tunneling ionization
Jens Svensmark, Oleg I. Tolstikhin, and Lars Bojer Madsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 31 May 2016
Solvation dependence observed in the electronic dissymmetry factor spectra: how much information are we missing by analyzing the circular dichroism spectra alone?
Cody L. Covington and Prasad L. Polavarapu
Phys. Chem. Chem. Phys., Vol: 18, No: 20 , published: 28 May 2016
Identification and H(D)-bond energies of C–H(D)⋯Cl interactions in chloride–haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study
Tatiyana V. Serebryanskaya, Alexander S. Novikov, Pavel V. Gushchin, Matti Haukka, Ruslan E. Asfin, Peter M. Tolstoy and Vadim Yu. Kukushkin
Phys. Chem. Chem. Phys., Vol: 18, No: 20 , published: 28 May 2016
2D-IR spectroscopy of hydrogen-bond-mediated vibrational excitation transfer
Lev Chuntonov
Phys. Chem. Chem. Phys., Vol: 18, No: 20 , published: 28 May 2016
Tune-out wavelength around 413 nm for the helium 23S1 state including relativistic and finite-nuclear-mass corrections
Yong-Hui Zhang, Li-Yan Tang, Xian-Zhou Zhang, and Ting-Yun Shi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 26 May 2016
All-optical production and transport of a large 6Li quantum gas in a crossed optical dipole trap
Ch. Gross, H. C. J. Gan, and K. Dieckmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 26 May 2016
Electron-impact excitation and ionization of atomic boron at low and intermediate energies
Kedong Wang, Oleg Zatsarinny, and Klaus Bartschat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 24 May 2016
Sum rules for the polarization correlations in photoionization and bremsstrahlung
R. H. Pratt, R. A. Müller, and A. Surzhykov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 23 May 2016
Complete characterization of single-cycle double ionization of argon from the nonsequential to the sequential ionization regime
M. Kübel, C. Burger, Nora G. Kling, T. Pischke, L. Beaufore, I. Ben-Itzhak, G. G. Paulus, J. Ullrich, T. Pfeifer, R. Moshammer, M. F. Kling, and B. Bergues
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 23 May 2016
Reactive collisions of two ultracold particles in a harmonic trap
Joanna Jankowska and Zbigniew Idziaszek
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 23 May 2016
Approach to chaos in ultracold atomic and molecular physics: Statistics of near-threshold bound states for Li+CaH and Li+CaF
Matthew D. Frye, Masato Morita, Christophe L. Vaillant, Dermot G. Green, and Jeremy M. Hutson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 23 May 2016
A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion
Janusz Cukras, Joanna Kauczor, Patrick Norman, Antonio Rizzo, Geert L. J. A. Rikken and Sonia Coriani
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
Electronic binding energy and thermal relaxation of Li and LiNa atomic alloying clusters
Maolin Bo, Yongling Guo, Yan Wang, Yonghui Liu, Cheng Peng, Chang Q. Sun and Yongli Huang
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
Pair-eigenstates and mutual alignment of coupled molecular rotors in a magnetic field
Ketan Sharma and Bretislav Friedrich
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
Origin-independent two-photon circular dichroism calculations in coupled cluster theory
Daniel H. Friese, Christof Hättig and Antonio Rizzo
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
On the nature of chemical bonding in the all-metal aromatic [Sb3Au3Sb3]3− sandwich complex
Xue-Rui You, Wen-Juan Tian, Da-Zhi Li, Ying-Jin Wang, Rui Li, Lin-Yan Feng and Hua-Jin Zhai
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
Time-dependent quantum simulation of coronene photoemission spectra
Angela Acocella, Monica de Simone, Fabrizio Evangelista, Marcello Coreno, Petra Rudolf and Francesco Zerbetto
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
Temperature and collision energy effects on dissociation of hydrochloric acid on water surfaces
Lauri Partanen, Garold Murdachaew, R. Benny Gerber and Lauri Halonen
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
Conformational distortion of α-phenylethyl amine in cryogenic matrices – a matrix isolation VCD study
Corina H. Pollok and Christian Merten
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
The conformational space of the neurotransmitter serotonin: how the rotation of a hydroxyl group changes all
Martin Wilke, Christian Brand, Josefin Wilke and Michael Schmitt
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
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
Stacking of purines in water: the role of dipolar interactions in caffeine
L. Tavagnacco, S. Di Fonzo, F. D’Amico, C. Masciovecchio, J. W. Brady and A. Cesàro
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 2016
A spectroscopic and theoretical study in the near-infrared region of low concentration aliphatic alcohols
Krzysztof B. Beć, Yoshisuke Futami, Marek J. Wójcik and Yukihiro Ozaki
Phys. Chem. Chem. Phys., Vol: 18, No: 19 , published: 21 May 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
Positronium energy levels at order mα7: Product contributions in the two-photon-annihilation channel
Gregory S. Adkins, Lam M. Tran, and Ruihan Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 20 May 2016
Formation of positron-atom bound states in collisions between Rydberg Ps and neutral atoms
A. R. Swann, D. B. Cassidy, A. Deller, and G. F. Gribakin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 20 May 2016
Cross sections for ionization of tetrahydrofuran by protons at energies between 300 and 3000 keV
Mingjie Wang, Benedikt Rudek, Daniel Bennett, Pablo de Vera, Marion Bug, Ticia Buhr, Woon Yong Baek, Gerhard Hilgers, and Hans Rabus
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 20 May 2016
Analysis of x-ray emission spectra in charge-exchange collisions of C6+ with He and H2
Anthony C. K. Leung and Tom Kirchner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 18 May 2016
Critical evaluation of attosecond time delays retrieved from photoelectron streaking measurements
Hui Wei, Toru Morishita, and C. D. Lin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 16 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
Solid-state NMR and DFT predictions of differences in COOH hydrogen bonding in odd and even numbered n-alkyl fatty acids
Jacob Powell, Keyton Kalakewich, Fernando J. Uribe-Romo and James K. Harper
Phys. Chem. Chem. Phys., Vol: 18, No: 18 , published: 14 May 2016
Electronic structures and second hyperpolarizabilities of alkaline earth metal complexes end-capped with NA2 (A = H, Li, Na)
Paramita Banerjee and Prasanta K. Nandi
Phys. Chem. Chem. Phys., Vol: 18, No: 18 , published: 14 May 2016
New insight into the structure of the C60Sc20 cluster: bonding, vibrational and optical properties
A. Tlahuice-Flores
Phys. Chem. Chem. Phys., Vol: 18, No: 18 , published: 14 May 2016
Determination of accurate electron chiral asymmetries in fenchone and camphor in the VUV range: sensitivity to isomerism and enantiomeric purity
Laurent Nahon, Lipsa Nag, Gustavo A. Garcia, Iuliia Myrgorodska, Uwe Meierhenrich, Samuel Beaulieu, Vincent Wanie, Valérie Blanchet, Romain Géneaux and Ivan Powis
Phys. Chem. Chem. Phys., Vol: 18, No: 18 , published: 14 May 2016
Ionization and electron-capture cross sections for single- and multiple-electron removal from H2O by Li3+ impact
H. Luna, W. Wolff, E. C. Montenegro, André C. Tavares, H. J. Lüdde, G. Schenk, M. Horbatsch, and T. Kirchner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 13 May 2016
Ionization and electron-capture cross sections for single- and multiple-electron removal from H2O by Li3+ impact
H. Luna, W. Wolff, E. C. Montenegro, André C. Tavares, H. J. Lüdde, G. Schenk, M. Horbatsch, and T. Kirchner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 13 May 2016
Pulse-duration effect in nonsequential double ionization of Ar atoms
Shansi Dong, Xiang Chen, Jingtao Zhang, and Xianghe Ren
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 12 May 2016
Dynamics of dissociative electron attachment to ammonia
T. N. Rescigno, C. S. Trevisan, A. E. Orel, D. S. Slaughter, H. Adaniya, A. Belkacem, Marvin Weyland, Alexander Dorn, and C. W. McCurdy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 12 May 2016
Dynamics of dissociative electron attachment to ammonia
T. N. Rescigno, C. S. Trevisan, A. E. Orel, D. S. Slaughter, H. Adaniya, A. Belkacem, Marvin Weyland, Alexander Dorn, and C. W. McCurdy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 12 May 2016
Precision measurement of the branching fractions of the 5p2P1/2 state in 88Sr+ with a single ion in a microfabricated surface trap
Jean-Pierre Likforman, Vincent Tugayé, Samuel Guibal, and Luca Guidoni
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 10 May 2016
Recombination of W19+ ions with electrons: Absolute rate coefficients from a storage-ring experiment and from theoretical calculations
N. R. Badnell, K. Spruck, C. Krantz, O. Novotný, A. Becker, D. Bernhardt, M. Grieser, M. Hahn, R. Repnow, D. W. Savin, A. Wolf, A. Müller, and S. Schippers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 09 May 2016
How amino and nitro substituents direct electrophilic aromatic substitution in benzene: an explanation with Kohn–Sham molecular orbital theory and Voronoi deformation density analysis
O. A. Stasyuk, H. Szatylowicz, T. M. Krygowski and C. Fonseca Guerra
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Unification of ground-state aromaticity criteria – structure, electron delocalization, and energy – in light of the quantum chemical topology
Zahra Badri and Cina Foroutan-Nejad
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Can the current density map topology be extracted from the nucleus independent chemical shifts?
Sofie Van Damme, Guillaume Acke, Remco W. A. Havenith and Patrick Bultinck
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Topological definition of ring currents
Paolo Lazzeretti
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Decay rate of real space delocalization measures: a comparison between analytical and test systems
A. Gallo-Bueno, E. Francisco and A. Martín Pendás
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
The making of ring currents
Guglielmo Monaco and Riccardo Zanasi
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Electron conjugation versus π–π repulsion in substituted benzenes: why the carbon–nitrogen bond in nitrobenzene is longer than in aniline
Huaiyu Zhang, Xiaoyu Jiang, Wei Wu and Yirong Mo
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Understanding conductivity in molecular switches: a real space approach in octaphyrins
T. Woller, N. Ramos-Berdullas, M. Mandado, M. Alonso, F. de Proft and J. Contreras-García
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Development of semiclassical molecular dynamics simulation method
Hiroki Nakamura, Shinkoh Nanbu, Yoshiaki Teranishi and Ayumi Ohta
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Beyond organic chemistry: aromaticity in atomic clusters
Alexander I. Boldyrev and Lai-Sheng Wang
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Edge chlorination of hexa-peri-hexabenzocoronene investigated by density functional theory and vibrational spectroscopy
Ali Maghsoumi, Akimitsu Narita, Renhao Dong, Xinliang Feng, Chiara Castiglioni, Klaus Müllen and Matteo Tommasini
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Viability of aromatic all-pnictogen anions
Subhajit Mandal, Surajit Nandi, Anakuthil Anoop and Pratim Kumar Chattaraj
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
Aromatic cages B0/+42: unprecedented existence of octagonal holes in boron clusters
Truong Ba Tai, Sang Uck Lee and Minh Tho Nguyen
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Octahedral aromaticity in 2S+1A1g X6q clusters (X = Li–C and Be–Si, S = 0–3, and q = −2 to +4)
Ouissam El Bakouri, Miquel Duran, Jordi Poater, Ferran Feixas and Miquel Solà
Phys. Chem. Chem. Phys., Vol: 18, No: 17 , published: 07 May 2016
Understanding the molecular switching properties of octaphyrins
T. Woller, J. Contreras-García, P. Geerlings, Frank De Proft and M. 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
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
Angle-resolved Beutler-Fano profile and dynamics for the predissociation of H2
Qingnan Meng, Jie Wang, and Yuxiang Mo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 06 May 2016
ФОТОДИНАМИЧЕСКАЯ ХРОМОГЕННАЯ СИСТЕМА НА ОСНОВЕ ФОТО-, ИОНОХРОМНОГО 8-(1,3-БЕНЗОКСАЗОЛ-2-ИЛ)-ЗАМЕЩЕННОГО СПИРОБЕНЗОПИРАНА
Чернышев А.В., Ткачев В.В., Ростовцева И.А., Волошин Н.А., Соловьева Е.В., Метелица А.В., Алдошин С.М., Минкин В.И.
Докл. РАН, Vol: 471, No: 5 , published: 06 May 2016
Fragmentation of long-lived hydrocarbons after strong field ionization
Seyedreza Larimian, Sonia Erattupuzha, Erik Lötstedt, Tamás Szidarovszky, Raffael Maurer, Stefan Roither, Markus Schöffler, Daniil Kartashov, Andrius Baltuška, Kaoru Yamanouchi, Markus Kitzler, and Xinhua Xie (谢新华)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 05 May 2016
Isotope shifts of the 2p3/2−2p1/2 transition in B-like ions
N. A. Zubova, A. V. Malyshev, I. I. Tupitsyn, V. M. Shabaev, Y. S. Kozhedub, G. Plunien, C. Brandau, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 03 May 2016
Time evolution of the lateral-velocity distribution for a strong-field-ionization process
I. A. Ivanov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 03 May 2016
Electromagnetically-induced-transparency ground-state cooling of long ion strings
Regina Lechner, Christine Maier, Cornelius Hempel, Petar Jurcevic, Ben P. Lanyon, Thomas Monz, Michael Brownnutt, Rainer Blatt, and Christian F. Roos
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 5 , published: 02 May 2016
Когерентные и некогерентные компоненты двухступенчатого возбуждения ридберговских состояний ультрахолодных атомов лития-7
Зеленер Б.Б., Саакян С.А., Саутенков В.А., Фортов В.Е.
Докл. РАН, Vol: 467, 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
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
Взаимодействие арилендиокситригалогенфосфоранов с ацетиленами. Сообщение 14. Метоксифенилацетилены в реакции с 2,2,2-трихлорбензо-1,3,2-диоксафосфолом
Немтарев А.В., Миронов В.Ф., Анискин А.С., Баранов Д.С., Криволапов Д.Б., Мусин Р.З., Василевский С.Ф.
Изв. РАН. Сер. хим., Vol: 2016, No: 5 , published: 01 May 2016
Procedures for Converting Electronic Absorption Spectra into Higher-Order Derivatives to Examine Photoinduced Spectral Changes
Kunihiro Ichimura
Bull. Chem. Soc. Jpn., Vol: 89, No: 5 , published: 01 May 2016
Trimerization of Acetylene Catalyzed by Ir(PH2CH2CH2PH2)Cl(cod): A Computational Study
AbdelRahman A. Dahy , Nobuaki Koga
Bull. Chem. Soc. Jpn., Vol: 89, No: 5 , published: 01 May 2016
Гетероспиновый комплекс MNIII - продукт индуцированного в ходе окислительно-восстановительной реакции изменения способа координации лиганда
Кузнецова О.В., Фурсова Е.Ю., Романенко Г.В., Богомяков А.С., Сагдеев Р.З., Овчаренко В.И.
Изв. РАН. Сер. хим., Vol: 2016, No: 5 , published: 01 May 2016
Синтез и строение бисхелатных комплексов галлия (dpp-bian)Ga(acac) и (dpp-bian)Ga(2,2´-bipy)(dpp-bian - 1,2-бис[(2,6-диизопропилфенил)имино]аценафтен)
Додонов В.А., Скатова А.А., Черкасов А.В., Федюшкин И.Л.
Изв. РАН. Сер. хим., Vol: 2016, No: 5 , published: 01 May 2016
Особенности связывания металл-лиганд в тринитратных комплексах европия с точки зрения сравнительного анализа распределения электронной плотности в кристаллах
Ананьев И.В., Нелюбина Ю.В., Пунтус Л.Н., Лысенко К.А., Еременко И.Л.
Изв. РАН. Сер. хим., Vol: 2016, No: 5 , published: 01 May 2016
Комплексы иттрия, содержащие гетероскорпионатные лиганды [(3,5-But2C3HN2)2CHC(Ph)2O]- и [o-Me2NC6H4CH2C(NCy)2]-
Скворцов Г.Г., Черкасов А.В., Фукин Г.К., Трифонов А.А.
Изв. РАН. Сер. хим., Vol: 2016, No: 5 , published: 01 May 2016
Влияние геометрических и электронных особенностей производных пиридина и триэтиламина на формирование металлокарбоксилатного каркаса при образовании пивалатных комплексов кадмия(II)
Гоголева Н.В., Шмелев М.А., Кискин М.А., Александров Г.Г., Сидоров А.А., Еременко И.Л.
Изв. РАН. Сер. хим., Vol: 2016, No: 5 , published: 01 May 2016
A proposed new scheme for vibronically resolved time-dependent photoelectron spectroscopy: pump–repump-continuous wave-photoelectron spectroscopy (prp-cw-pes)
Prateek Goel and Marcel Nooijen
Phys. Chem. Chem. Phys., Vol: 18, No: 16 , published: 28 April 2016
Quantum and quasi-classical calculations for the S+ + H2(v,j) → SH+(v′,j′) + H reactive collisions
Alexandre Zanchet, Octavio Roncero and Niyazi Bulut
Phys. Chem. Chem. Phys., Vol: 18, No: 16 , published: 28 April 2016
Near-UV photodissociation dynamics of CH2I2
Benjamin W. Toulson, Jonathan P. Alaniz, J. Grant Hill and Craig Murray
Phys. Chem. Chem. Phys., Vol: 18, No: 16 , published: 28 April 2016
Electron-impact dissociative double ionization of N2 and CO: Dependence of transition probability on impact energy
A. Pandey, P. Kumar, S. B. Banerjee, K. P. Subramanian, and B. Bapat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 28 April 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
Resonancelike enhancement in high-order above-threshold ionization of polyatomic molecules
C. Wang, M. Okunishi, X. Hao, Y. Ito, J. Chen, Y. Yang, R. R. Lucchese, M. Zhang, B. Yan, W. D. Li, D. Ding, and K. Ueda
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 27 April 2016
Strong asymmetry of the electron-loss-to-continuum cusp of multielectron U28+ projectiles in near-relativistic collisions with gaseous targets
P.-M. Hillenbrand, S. Hagmann, J. M. Monti, R. D. Rivarola, K.-H. Blumenhagen, C. Brandau, W. Chen, R. D. DuBois, A. Gumberidze, D. L. Guo, M. Lestinsky, Yu. A. Litvinov, A. Müller, S. Schippers, U. Spillmann, S. Trotsenko, G. Weber, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 25 April 2016
Double electron excitation in He ions interacting with an aluminum surface
P. Riccardi, A. Sindona, and C. A. Dukes
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 25 April 2016
Orbital Feshbach resonances with a small energy gap between open and closed channels
Yanting Cheng, Ren Zhang, and Peng Zhang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 22 April 2016
Transfer matrix formulation of scattering theory in two and three dimensions
Farhang Loran and Ali Mostafazadeh
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 22 April 2016
Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach
Sebastian Fernandez-Alberti, Dmitry V. Makhov, Sergei Tretiak and Dmitrii V. Shalashilin
Phys. Chem. Chem. Phys., Vol: 18, No: 15 , published: 21 April 2016
Origin of distinct structural symmetry of the neopentane cation in the ground electronic state compared to the methane cation
T. Mondal
Phys. Chem. Chem. Phys., Vol: 18, No: 15 , published: 21 April 2016
Nonsequential double ionization of helium in IR+XUV two-color laser fields: Collision-ionization process
Facheng Jin, Yuanye Tian, Jing Chen, Yujun Yang, Xiaojun Liu, Zong-Chao Yan, and Bingbing Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 21 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
Complete ligand loss in electron ionization of the weakly bound organometallic tungsten hexacarbonyl dimer
Michael Neustetter, Andreas Mauracher, Paulo Limão-Vieira and Stephan Denifl
Phys. Chem. Chem. Phys., Vol: 18, No: 15 , published: 21 April 2016
The effect of hydrogen bonding propensity and enantiomeric composition on the dynamics of supercooled ketoprofen – dielectric, rheological and NMR studies
K. Adrjanowicz, K. Kaminski, M. Tarnacka, K. Szutkowski, L. Popenda, G. Bartkowiak and M. Paluch
Phys. Chem. Chem. Phys., Vol: 18, No: 15 , published: 21 April 2016
Cβ–H stretching vibration as a new probe for conformation of n-propanol in gaseous and liquid states
Yuanqin Yu, Yuxi Wang, Naiyin Hu, Ke Lin, Xiaoguo Zhou and Shilin Liu
Phys. Chem. Chem. Phys., Vol: 18, No: 15 , published: 21 April 2016
Siegert pseudostate formulation of scattering theory: General three-dimensional case
Lev O. Krainov, Pavel A. Batishchev, and Oleg I. Tolstikhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 20 April 2016
Excitation and charge transfer in low-energy hydrogen-atom collisions with neutral atoms: Theory, comparisons, and application to Ca
Paul S. Barklem
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 20 April 2016
Atomic properties of Lu+
Eduardo Paez, K. J. Arnold, Elnur Hajiyev, S. G. Porsev, V. A. Dzuba, U. I. Safronova, M. S. Safronova, and M. D. Barrett
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 18 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
On the nature of bonding in binary Be2O2 and Si2O2 clusters: rhombic four-center four-electron π and σ bonds
Kang Wang, Ying-Jin Wang, Da-Zhi Li, Ting Ou, Xiao-Yun Zhao and Hua-Jin Zhai
Phys. Chem. Chem. Phys., Vol: 18, No: 14 , published: 14 April 2016
Ionization of helium by intense XUV laser pulses: Numerical simulations on channel-resolved probabilities
Chuan Yu and Lars Bojer Madsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 14 April 2016
Hydrogen bonding in DPD: application to low molecular weight alcohol–water mixtures
Gokhan Kacar and Gijsbertus de With
Phys. Chem. Chem. Phys., Vol: 18, No: 14 , published: 14 April 2016
Complexation thermodynamics of diglycolamide with f-elements: solvent extraction and density functional theory analysis
Sk. M. Ali, S. Pahan, A. Bhattacharyya and P. K. Mohapatra
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
Investigating the properties of PODIPYs (phosphorus-dipyrromethene) with ab initio tools
Arnaud Fihey, Anthony Favennec, Boris Le Guennic and Denis Jacquemin
Phys. Chem. Chem. Phys., Vol: 18, No: 14 , published: 14 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
Permanent electric dipole moments of alkaline-earth-metal monofluorides: Interplay of relativistic and correlation effects
V. S. Prasannaa, S. Sreerekha, M. Abe, V. M. Bannur, and B. P. Das
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 13 April 2016
Nagaoka’s atomic model and hyperfine interactions
Takashi T. INAMURA
Proc. Jap. Acad. B, Vol: 92, No: 4 , published: 11 April 2016
Elastic scattering of low-energy electrons from toluene
Ahmad Sakaamini, L. R. Hargreaves, M. A. Khakoo, D. F. Pastega, and M. H. F. Bettega
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 11 April 2016
Autoionizing states of atomic boron
Luca Argenti and Roberto Moccia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 08 April 2016
Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives
Tiago Vinicius Alves, Luis Simón-Carballido, Fernando Rei Ornellas and Antonio Fernández-Ramos
Phys. Chem. Chem. Phys., Vol: 18, No: 13 , published: 07 April 2016
Aromaticity of the doubly charged [8]circulenes
Gleb V. Baryshnikov, Rashid R. Valiev, Nataliya N. Karaush, Dage Sundholm and Boris F. Minaev
Phys. Chem. Chem. Phys., Vol: 18, No: 13 , published: 07 April 2016
Photoisomerization mechanisms from trans, trans-1,4-diphenyl-1,3-butadiene: CASSCF on-the-fly trajectory surface hopping dynamic simulations
Xiaolei Zheng, Gaohong Zhai, Wanqing Gao, Yibo Lei, Le Yu and Chaoyuan Zhu
Phys. Chem. Chem. Phys., Vol: 18, No: 13 , published: 07 April 2016
On the absolute photoionization cross section and dissociative photoionization of cyclopropenylidene
Fabian Holzmeier, Ingo Fischer, Benjamin Kiendl, Anke Krueger, Andras Bodi and Patrick Hemberger
Phys. Chem. Chem. Phys., Vol: 18, No: 13 , published: 07 April 2016
Partial and total dielectronic recombination rate coefficients for W73+ to W56+
S. P. Preval, N. R. Badnell, and M. G. O'Mullane
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 07 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
Feshbach resonances and weakly bound molecular states of boson-boson and boson-fermion NaK pairs
Alexandra Viel and Andrea Simoni
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 05 April 2016
Detailed analysis of shake structures in the KLL Auger spectrum of H2S
R. Püttner, D. Céolin, R. Guillemin, R. K. Kushawaha, T. Marchenko, L. Journel, M. N. Piancastelli, and M. Simon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 04 April 2016
Polarization and molecular-orbital dependence of strong-field enhanced ionization
Wei Lai and Chunlei Guo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 04 April 2016
Low-energy structures in strong-field ionization
I. A. Ivanov, Chang Hee Nam, and Kyung Taec Kim
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 4 , published: 04 April 2016
Запрещенные переходы 2P-nP и 2P-nF в спектре энергий ультрахолодных ридберговских атомов лития-7
Зеленер Б.Б., Саакян С.А., Саутенков В.А., Маныкин Э.А., Зеленер Б.В., Фортов В.Е.
Ж. эксперим. и теор. физ., Vol: 149, No: 4 , published: 01 April 2016
Динамика фотопроцессов, индуцированных фемтосекундным ИК-излучением в свободных молекулах и кластерах пентакарбонила железа
Компанец В.О., Лохман В.Н., Пойдашев Д.Г., Чекалин С.В., Рябов Е.А.
Ж. эксперим. и теор. физ., Vol: 149, No: 4 , published: 01 April 2016
Структурные характеристики молекулы 18-краун-6 в метаноле и ацетонитриле
Кузьмина И.А., Усачева Т.Р., Волкова М.А., Белова Н.В., Шарнин В.А.
Изв. вузов. Химия и хим. технол., Vol: 59, No: 4 , published: 01 April 2016
Колебательные спектры 3-аминофталонитрила
Савельев Д.С., Исляйкин М.К., Гиричев Г.В.
Изв. вузов. Химия и хим. технол., Vol: 59, No: 4 , published: 01 April 2016
Квантово-химические исследования азолов. Сообщение 6. Влияние специфической сольватации на расчетные термодинамические параметры механизма электрофильного замещения в тетразоле по схеме отщепления-присоединения без предварительного образования N-протонированных азолиевых солей
Чувылкин Н.Д., Субботин А.Н., Беленький Л.И.
Изв. РАН. Сер. хим., Vol: 2016, No: 4 , published: 01 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
Координационные соединения СuСl2 с 1-(N-гетерилметил)силатранами
Болгова Ю.И., Белоголова Е.Ф., Беляева В.В., Тимофеева Е.Н., Трофимова О.М.
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
The Origin of Relative Stability of Di-µ-oxo M–M Chiral Salen Complexes [M–M = Ti(IV)–Ti(IV), V(IV)–V(IV), Cr(IV)–Cr(IV), and Mn(IV)–Mn(IV)]: A Quantum-Chemical Analysis
Radhika Narayanan, Archana Velloth, Takuya Kurahashi, Hiroshi Fujii, Masahiko Hada
Bull. Chem. Soc. Jpn., Vol: 89, No: 4 , published: 01 April 2016
Effects of molecular rotation after ionization and prior to fragmentation on observed recoil-frame photoelectron angular distributions in the dissociative photoionization of nonlinear molecules
Jesús A. López-Domínguez and Robert R. Lucchese
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 31 March 2016
Electron collisions with small esters: A joint experimental-theoretical investigation
G. L. C. de Souza, L. A. da Silva, W. J. C. de Sousa, R. T. Sugohara, I. Iga, A. S. dos Santos, L. E. Machado, M. G. P. Homem, L. M. Brescansin, R. R. Lucchese, and M.-T. Lee
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 29 March 2016
Ionization potentials and polarizabilities of superheavy elements from Db to Cn (Z=105112)
V. A. Dzuba
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 28 March 2016
Effect of electronic angular momentum exchange on photoelectron anisotropy following the two-color ionization of krypton atoms
N. Saquet, D. M. P. Holland, S. T. Pratt, D. Cubaynes, X. Tang, G. A. Garcia, L. Nahon, and K. L. Reid
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 28 March 2016
Differential studies and projectile charge effects in ionization of molecular nitrogen by positron and electron impact
O. G. de Lucio and R. D. DuBois
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 25 March 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
Theoretical determination of the polarizability dispersion and the refractive index of helium
Mariusz Puchalski, Konrad Piszczatowski, Jacek Komasa, Bogumił Jeziorski, and Krzysztof Szalewicz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 23 March 2016
Direct optical access to the triplet manifold of states in H2
Ch. Jungen and M. Glass-Maujean
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 22 March 2016
Modeling the photosensitizing properties of thiolate-protected gold nanoclusters
Cloé Azarias, Carlo Adamo and Aurélie Perrier
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
Fluorescence-detected circular dichroism spectroscopy of jet-cooled ephedrine
Aram Hong, Changseop Jeong, Heeseon Jang, Myoung Choul Choi, Jiyoung Heo and Nam Joon Kim
Phys. Chem. Chem. Phys., Vol: 18, No: 11 , published: 21 March 2016
On couplings and excimers: lessons from studies of singlet fission in covalently linked tetracene dimers
Xintian Feng and Anna I. Krylov
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
Photodissociation dynamics of propyne at 193 nm: a trajectory surface hopping study
Subhendu Ghosh, Akshaya Kumar Rauta and Biswajit Maiti
Phys. Chem. Chem. Phys., Vol: 18, No: 11 , published: 21 March 2016
Terahertz-visible two-photon rotational spectroscopy of cold OD
Seunghyun Lee, Daniel Hauser, Olga Lakhmanskaya, Steffen Spieler, Eric S. Endres, Katharina Geistlinger, Sunil S. Kumar, and Roland Wester
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 21 March 2016
Solvent sensitive intramolecular charge transfer dynamics in the excited states of 4-N,N-dimethylamino-4′-nitrobiphenyl
Rajib Ghosh, Amitabha Nandi and Dipak K. Palit
Phys. Chem. Chem. Phys., Vol: 18, No: 11 , 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
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
Coupled electron-nuclear dynamics in resonant 1σ2π x-ray Raman scattering of CO molecules
Rafael C. Couto, Marco Guarise, Alessandro Nicolaou, Nicolas Jaouen, Gheorghe S. Chiuzbăian, Jan Lüning, Victor Ekholm, Jan-Erik Rubensson, Conny Såthe, Franz Hennies, Freddy F. Guimarães, Hans Ågren, Faris Gel'mukhanov, Loïc Journel, Marc Simon, and Victor Kimberg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 17 March 2016
Atomic photoionization experiment by harmonic-generation spectroscopy
M. V. Frolov, T. S. Sarantseva, N. L. Manakov, K. D. Fulfer, B. P. Wilson, J. Troß, X. Ren, E. D. Poliakoff, A. A. Silaev, N. V. Vvedenskii, Anthony F. Starace, and C. A. Trallero-Herrero
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 17 March 2016
Combined experimental and theoretical study on the differential elastic scattering cross sections for acetone by electron impact energy of 7.0–50 eV
D. F. Pastega, E. Lange, J. Ameixa, A. S. Barbosa, F. Blanco, G. García, M. H. F. Bettega, P. Limão-Vieira, and F. Ferreira da Silva
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 16 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
Analysis of the competition between forbidden and hyperfine-induced transitions in Ne-like ions
Martin Andersson, Jon Grumer, Tomas Brage, Yaming Zou, and Roger Hutton
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 14 March 2016
Ultrafast deactivation of bilirubin: dark intermediates and two-photon isomerization
Carlos Carreira-Blanco, Patrick Singer, Rolf Diller and J. Luis Pérez Lustres
Phys. Chem. Chem. Phys., Vol: 18, No: 10 , published: 14 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
Halogen bonding. The role of the polarizability of the electron-pair donor
Darío J. R. Duarte, Gladis L. Sosa, Nélida M. Peruchena and Ibon Alkorta
Phys. Chem. Chem. Phys., Vol: 18, No: 10 , published: 14 March 2016
Analysis of the 1A′ S11A′ S0 and 2A′ D01A′ S1 band systems in 1,2-dichloro-4-fluorobenzene by means of resonance-enhanced-multi-photon-ionization (REMPI) and mass-analyzed-threshold-ionization (MATI) spectroscopy
Sascha Krüger and Jürgen Grotemeyer
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
Regulation of nonadiabatic processes in the photolysis of some carbonyl compounds
King-Chuen Lin
Phys. Chem. Chem. Phys., Vol: 18, No: 10 , published: 14 March 2016
C[triple bond, length as m-dash]N stretching vibration of 5-cyanotryptophan as an infrared probe of protein local environment: what determines its frequency?
Wenkai Zhang, Beatrice N. Markiewicz, Rosalie S. Doerksen, Amos B. Smith, III and Feng Gai
Phys. Chem. Chem. Phys., Vol: 18, No: 10 , published: 14 March 2016
Electron attachment to the interhalogen compounds ClF, ICl, and IBr
Justin P. Wiens, Jordan C. Sawyer, Thomas M. Miller, Nicholas S. Shuman, Albert A. Viggiano, Marjan Khamesian, Viatcheslav Kokoouline, and Ilya I. Fabrikant
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 10 March 2016
Correlation and polarization effects in two-photon photoionization of Ar
I. D. Petrov, B. M. Lagutin, V. L. Sukhorukov, A. Knie, and A. Ehresmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 09 March 2016
Double ionization of helium by 2-keV electrons in equal- and unequal-energy configurations
M. J. Ambrosio, D. M. Mitnik, A. Dorn, L. U. Ancarani, and G. Gasaneo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 09 March 2016
Inter- and intracycle interference effects in strong-field dissociative ionization
Lun Yue and Lars Bojer Madsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 08 March 2016
Single and multiple electron removal and fragmentation in collisions of protons with water molecules
L. Gulyás, S. Egri, H. Ghavaminia, and A. Igarashi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 08 March 2016
Relativistic evaluation of the two-photon decay of the metastable 1s22s2p3P0 state in berylliumlike ions with an effective-potential model
Pedro Amaro, Filippo Fratini, Laleh Safari, Jorge Machado, Mauro Guerra, Paul Indelicato, and José Paulo Santos
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 07 March 2016
Magnetic susceptibility of actinide(III) cations: an experimental and theoretical study
Matthieu Autillo, Laetitia Guerin, Hélène Bolvin, Philippe Moisy and Claude Berthon
Phys. Chem. Chem. Phys., Vol: 18, No: 9 , published: 07 March 2016
Challenging compounds for calculating molecular second hyperpolarizabilities: the triplet state of the trimethylenemethane diradical and two derivatives
Marc de Wergifosse, Benoît Champagne, Soichi Ito, Kotaro Fukuda and Masayoshi Nakano
Phys. Chem. Chem. Phys., Vol: 18, No: 9 , published: 07 March 2016
HSO3Cl: a prototype molecule for studying OH-stretching overtone induced photodissociation
Juvenal Yosa Reyes, Sebastian Brickel, Oliver T. Unke, Tibor Nagy and Markus Meuwly
Phys. Chem. Chem. Phys., Vol: 18, No: 9 , published: 07 March 2016
Excited state nonadiabatic dynamics of bare and hydrated anionic gold clusters Au3[H2O]n (n = 0–2)
Polina G. Lisinetskaya, Christian Braun, Sebastian Proch, Young Dok Kim, Gerd Ganteför and Roland Mitrić
Phys. Chem. Chem. Phys., Vol: 18, No: 9 , published: 07 March 2016
Isosteric and fluorescent DNA base pair formed by 4-amino-phthalimide and 2,4-diaminopyrimidine: melting, structure, and THz polar solvation dynamics
L. Dehmel, F. Berndt, M. Weinberger, M. Sajadi, I. Ioffe, H.-A. Wagenknecht and N. P. Ernsting
Phys. Chem. Chem. Phys., Vol: 18, No: 9 , published: 07 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
A biomimetic molecular switch at work: coupling photoisomerization dynamics to peptide structural rearrangement
Cristina García-Iriepa, Moussa Gueye, Jérémie Léonard, David Martínez-López, Pedro J. Campos, Luis Manuel Frutos, Diego Sampedro and Marco Marazzi
Phys. Chem. Chem. Phys., Vol: 18, No: 9 , published: 07 March 2016
Loss of wave-packet coherence in ion-atom collisions
L. Sarkadi, I. Fabre, F. Navarrete, and R. O. Barrachina
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 03 March 2016
Differential and total cross sections of mutual neutralization in low-energy collisions of isotopes of H++H
Sifiso M. Nkambule, Nils Elander, Åsa Larson, Julien Lecointre, and Xavier Urbain
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 03 March 2016
Гамильтониан для электронно-колебательно-вращательной задачи в теории молекул
Грибов Л.А.
Докл. РАН, Vol: 467, No: 1 , published: 01 March 2016
Определение параметров основного колебательного состояния молекулы С2D4
Фомченко А.Л., Чжан Ф., Громова О.В., Буттерсак Т.
Изв. вузов. Физ., Vol: 59, No: 3 , published: 01 March 2016
Photoionization and photofragmentation of the C60+ molecular ion
K. K. Baral, N. B. Aryal, D. A. Esteves-Macaluso, C. M. Thomas, J. Hellhund, R. Lomsadze, A. L. D. Kilcoyne, A. Müller, S. Schippers, and R. A. Phaneuf
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 3 , published: 01 March 2016
Квантово-химическое моделирование наноструктурированного кремния Sin (n = 2—308). Структуры типа «снежный ком»
Т. С. Зюбина, А. С. Зюбин, Ю. А. Добровольский, В. М. Волохов
Изв. РАН. Сер. хим., Vol: 2016, No: 3 , published: 01 March 2016
Кинетические характеристики процессов под действием электронного удара в BCl3
Ефремов А.М., Шабадаров С.С.
Изв. вузов. Химия и хим. технол., Vol: 59, No: 3 , published: 01 March 2016
Колебательные спектры и структура молекулы 3-аминофталимида по данным ИК-спектроскопии и квантово-химических расчетов
Савельев Д.С., Исляйкин М.К., Гиричев Г.В.
Изв. вузов. Химия и хим. технол., Vol: 59, No: 3 , published: 01 March 2016
Квантовохимическое изучение региоселективности реакции пиридо[1,2-a]бензимидазолов с электрофилами
Р. С. Бегунов, А. А. Соколов, В. О. Белова, М. Е. Соловьев
Изв. РАН. Сер. хим., Vol: 2016, No: 3 , published: 01 March 2016
Синтез и строение бис(4-иодфенокси)трифенилсурьмы и 4-иодфенокситетрафенилсурьмы
Шарутин В.В., Шарутина О.К., Сенчурин В.С.
Изв. РАН. Сер. хим., Vol: 2016, No: 3 , published: 01 March 2016
Квантово-химическое изучение спин-кроссовера в комплексах кобальта с o-бензохиноновым лигандом
Стариков А.Г., Старикова А.А., Минкин В.И.
Докл. РАН, Vol: 467, No: 3 , published: 01 March 2016
Комплексы Cu(II), CO(II), Ni(II) с (2-гидроксибензалиден)-N,N-дициклогексилглицилгидразоном
Гусейнова М.Т., Алиева М.Н., Фатуллаева П.А., Исмаилова С.З.
Изв. вузов. Химия и хим. технол., Vol: 59, No: 3 , published: 01 March 2016
Стереочувствительность обменных взаимодействий в гетероспиновых комплексах NiII и CuII с 5-формилпирролилзамещенными нитроксилами
Е. М. Зуева, Е. В. Третьяков, С. В. Фокин, Г. В. Романенко, А. О. Ткачева, А. С. Богомяков, О. В. Петрова, Б. А. Трофимов, Р. З. Сагдеев, В. И. Овчаренко
Изв. РАН. Сер. хим., Vol: 2016, No: 3 , published: 01 March 2016
Первый пример металлакарборанового комплекса с циклобутенилиденовым лигандом
Дьячихин Д.И., Долгушин Ф.М., Годовиков И.А., Сатравала Н.К., Джоши Р.К., Чижевский И.Т.
Изв. РАН. Сер. хим., Vol: 2016, No: 3 , published: 01 March 2016
Photoassociation of spin-polarized chromium
Jahn Rührig, Tobias Bäuerle, Paul S. Julienne, Eite Tiesinga, and Tilman Pfau
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 29 February 2016
Precision test of the ac Stark shift in a rubidium atomic vapor
F. Levi, J. Camparo, B. Francois, C. E. Calosso, S. Micalizio, and A. Godone
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 29 February 2016
A critical assessment of methods to recover information from averaged data
Enrico Ravera, Luca Sgheri, Giacomo Parigi and Claudio Luchinat
Phys. Chem. Chem. Phys., Vol: 18, No: 8 , published: 28 February 2016
Exploring the conformational heterogeneity of biomolecules: theory and experiments
Claudio Luchinat
Phys. Chem. Chem. Phys., Vol: 18, No: 8 , published: 28 February 2016
Superhalogen properties of BS2 and BSO: photoelectron spectroscopy and theoretical calculations
Li-Juan Zhao, Hong-Guang Xu, Gang Feng, Peng Wang, Xi-Ling Xu and Wei-Jun Zheng
Phys. Chem. Chem. Phys., Vol: 18, No: 8 , published: 28 February 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
Electrochemical fabrication and interfacial charge-transfer process of Ni/GaN(0001) electrodes
Shuang-Jiao Qin, Fei Peng, Xue-Qing Chen and Ge-Bo Pan
Phys. Chem. Chem. Phys., Vol: 18, No: 8 , published: 28 February 2016
Aminophenol isomers unraveled by conformer-specific far-IR action spectroscopy
Vasyl Yatsyna, Daniël J. Bakker, Raimund Feifel, Anouk M. Rijs and Vitali Zhaunerchyk
Phys. Chem. Chem. Phys., Vol: 18, No: 8 , published: 28 February 2016
Raman and DFT study of methimazole chemisorbed on gold colloidal nanoparticles
Maurizio Muniz-Miranda, Francesco Muniz-Miranda and Alfonso Pedone
Phys. Chem. Chem. Phys., Vol: 18, No: 8 , published: 28 February 2016
Structural determination of niobium-doped silicon clusters by far-infrared spectroscopy and theory
Xiaojun Li, Pieterjan Claes, Marko Haertelt, Peter Lievens, Ewald Janssens and André Fielicke
Phys. Chem. Chem. Phys., Vol: 18, No: 8 , published: 28 February 2016
Tabulation of the bound-state energies of atomic hydrogen
M. Horbatsch and E. A. Hessels
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 26 February 2016
Charge-exchange processes in collisions of H+,H2+,H3+,He+, and He2+ ions with CO and CO2 molecules at energies below 1000 eV
S. Werbowy and B. Pranszke
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 26 February 2016
Nonexponential tunneling decay of a single ultracold atom
Gastón García-Calderón and Roberto Romo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 25 February 2016
Configuration-interaction plus many-body-perturbation-theory calculations of Si i transition probabilities, oscillator strengths, and lifetimes
I. M. Savukov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 25 February 2016
Effect of low-energy electron interference on strong-field molecular ionization
Shilin Hu, Jing Chen, Xiaolei Hao, and Weidong Li
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 24 February 2016
Low-energy elastic and inelastic scattering of positrons from argon
R. A. Boadle, T. J. Babij, J. R. Machacek, R. P. McEachran, J. P. Sullivan, and S. J. Buckman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 24 February 2016
Electron-impact double ionization of Li+
Jurgita Koncevičiūtė and Valdas Jonauskas
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 23 February 2016
Polarization of Lyman-α emission in proton-hydrogen collisions studied using a semiclassical two-center convergent close-coupling approach
S. K. Avazbaev, A. S. Kadyrov, I. B. Abdurakhmanov, D. V. Fursa, and I. Bray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 22 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
A density functional theory protocol for the calculation of redox potentials of copper complexes
Liuming Yan, Yi Lu and Xuejiao Li
Phys. Chem. Chem. Phys., Vol: 18, No: 7 , published: 21 February 2016
Coherent vibration and ultrafast dynamics upon bond formation in excited dimers of an Au(I) complex
Munetaka Iwamura, Ryo Wakabayashi, Junichi Maeba, Koichi Nozaki, Satoshi Takeuchi and Tahei Tahara
Phys. Chem. Chem. Phys., Vol: 18, No: 7 , published: 21 February 2016
Coherent vibration and ultrafast dynamics upon bond formation in excited dimers of an Au(I) complex
Martin D. Peeks, Patrik Neuhaus and Harry L. Anderson
Phys. Chem. Chem. Phys., Vol: 18, No: 7 , published: 21 February 2016
The mechanism of excited state proton dissociation in microhydrated hydroxylamine clusters
Jittima Thisuwan, Parichart Suwannakham, Charoensak Lao-ngam and Kritsana Sagarik
Phys. Chem. Chem. Phys., Vol: 18, No: 7 , published: 21 February 2016
Inner and outer radial density functions in correlated two-electron systems
Andrew W. King, Luke C. Rhodes, and Hazel Cox
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 19 February 2016
Precision measurement of the Rb87 tune-out wavelength in the hyperfine ground state F=1 at 790 nm
Felix Schmidt, Daniel Mayer, Michael Hohmann, Tobias Lausch, Farina Kindermann, and Artur Widera
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 16 February 2016
Narrowing of the emission angle in high-intensity Compton scattering
C. N. Harvey, A. Gonoskov, M. Marklund, and E. Wallin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 16 February 2016
Mid-infrared optical parametric oscillators and frequency combs for molecular spectroscopy
M. Vainio and L. Halonen
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
Photodissociation of acryloyl chloride at 193 nm: interpretation of the product energy distributions, and new elimination pathways
Raúl Pérez-Soto, Saulo A. Vázquez and Emilio Martínez-Núñez
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
High-resolution separation of thiolate-protected gold clusters by reversed-phase high-performance liquid chromatography
Yoshiki Niihori, Chihiro Uchida, Wataru Kurashige and Yuichi Negishi
Phys. Chem. Chem. Phys., Vol: 18, No: 6 , published: 14 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
Infrared photodissociation spectroscopy of M(N2)n+ (M = Y, La, Ce; n = 7–8) in the gas phase
Hua Xie, Lei Shi, Xiaopeng Xing and Zichao Tang
Phys. Chem. Chem. Phys., Vol: 18, No: 6 , published: 14 February 2016
The structures and properties of proton- and alkali-bound cysteine dimers
Christian Ieritano, Patrick J. J. Carr, Moaraj Hasan, Michael Burt, Rick A. Marta, Vincent Steinmetz, Eric Fillion, Terrance B. McMahon and W. Scott Hopkins
Phys. Chem. Chem. Phys., Vol: 18, No: 6 , published: 14 February 2016
Photodissociation path in H2+ induced by nonuniform optical near fields: Two-step excitation via vibrationally excited states
Maiku Yamaguchi and Katsuyuki Nobusada
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 12 February 2016
Double photoelectron momentum spectra of helium at infrared wavelength
Alejandro Zielinski, Vinay Pramod Majety, and Armin Scrinzi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 08 February 2016
Traceable stopping cross sections of Al and Mo elemental targets for 0.9–3.6-MeV protons
M. V. Moro, T. F. Silva, A. Mangiarotti, Z. O. Guimarães-Filho, M. A. Rizzutto, N. Added, and M. H. Tabacniks
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 08 February 2016
Deconstructing field-induced ketene isomerization through Lagrangian descriptors
Galen T. Craven and Rigoberto Hernandez
Phys. Chem. Chem. Phys., Vol: 18, No: 5 , published: 07 February 2016
Three-photon circular dichroism: towards a generalization of chiroptical non-linear light absorption
Daniel H. Friese and Kenneth Ruud
Phys. Chem. Chem. Phys., Vol: 18, No: 5 , published: 07 February 2016
Analytic calculations of anharmonic infrared and Raman vibrational spectra
Yann Cornaton, Magnus Ringholm, Orian Louant and Kenneth Ruud
Phys. Chem. Chem. Phys., Vol: 18, No: 5 , published: 07 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
The donor OH stretching–libration dynamics of hydrogen-bonded methanol dimers in cryogenic matrices
M. Heger, J. Andersen, M. A. Suhm and R. Wugt Larsen
Phys. Chem. Chem. Phys., Vol: 18, No: 5 , published: 07 February 2016
Potential energy surface of fluoroxene: experiment and theory
Iciar Uriarte, Patricia Écija, Lorenzo Spada, Eneko Zabalza, Alberto Lesarri, Francisco J. Basterretxea, José A. Fernández, Walther Caminati and Emilio J. Cocinero
Phys. Chem. Chem. Phys., Vol: 18, No: 5 , published: 07 February 2016
Lifetimes of some 2s22p 2P3/2 states from variational theory
Charlotte Froese Fischer, Ian P. Grant, Gediminas Gaigalas, and Pavel Rynkun
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 05 February 2016
Magnetic-field-induced electric quadrupole moments for relativistic hydrogenlike atoms: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
Patrycja Stefańska
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 04 February 2016
Lifetimes of ultra-long-range strontium Rydberg molecules
F. Camargo, J. D. Whalen, R. Ding, H. R. Sadeghpour, S. Yoshida, J. Burgdörfer, F. B. Dunning, and T. C. Killian
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 04 February 2016
Lifetimes of ultra-long-range strontium Rydberg molecules
F. Camargo, J. D. Whalen, R. Ding, H. R. Sadeghpour, S. Yoshida, J. Burgdörfer, F. B. Dunning, and T. C. Killian
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 04 February 2016
Quantum chaos in ultracold collisions between Yb(1S0) and Yb(3P2)
Dermot G. Green, Christophe L. Vaillant, Matthew D. Frye, Masato Morita, and Jeremy M. Hutson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 04 February 2016
Azimuthal asymmetry of the extracted electron in field ionization of a hydrogen atom with orbital angular momentum
X. Artru and E. Redouane-Salah
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 03 February 2016
Conforming the measured lifetimes of the 5d2D3/2,5/2 states in Cs with theory
B. K. Sahoo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 02 February 2016
Velocity-dependent dipole forces on an excited atom
M. Donaire and A. Lambrecht
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 2 , published: 01 February 2016
Two-to-one Auger decay of a double L vacancy in argon
M. Žitnik, R. Püttner, G. Goldsztejn, K. Bučar, M. Kavčič, A. Mihelič, T. Marchenko, R. Guillemin, L. Journel, O. Travnikova, D. Céolin, M. N. Piancastelli, and M. Simon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, 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
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
Спиновая поляризация атомов 85Rb при столкновениях с оптически ориентированными метастабильными атомами 4He в щелочно-гелиевой плазме
Дмитриев С.П., Доватор Н.А., Картошкин В.А.
Письма в ЖТФ, Vol: 42, No: 2 , published: 01 February 2016
Механизм образования и конформационное строение 2,3,4-триметил-1,5(тиофен-2-ил)пентан-1,5-диона: квантово-химическое исследование
Н. М. Витковская, Е. Ю. Ларионова, В. Б. Кобычев, Е. Ю. Шмидт, Б. А. Трофимов
Изв. РАН. Сер. хим., Vol: 2016, No: 2 , published: 01 February 2016
Реакции окислительного нуклеофильного замещения алкилиодидов под действием перхлорат- и динитрамид-анионов. Синтез алкилзамещенных перхлоратов
Н. В. Яшин, Е. Б. Аверина, Ю. К. Гришин, В. Б. Рыбаков, Т. С. Кузнецова, Н. С. Зефиров
Изв. РАН. Сер. хим., Vol: 2016, No: 2 , published: 01 February 2016
Механизм образования и конформационное строение 2,3,4-триметил-1,5(тиофен-2-ил)пентан-1,5-диона: квантово-химическое исследование
Н. М. Витковская, Е. Ю. Ларионова, В. Б. Кобычев, Е. Ю. Шмидт, Б. А. Трофимов
Изв. РАН. Сер. хим., Vol: 2016, No: 2 , published: 01 February 2016
Новый маршрут реакции трифторметилсодержащих N-метил(4-этоксифенил)имидазолидин-2-онов с мочевиной
Л. В. Салоутина, А. Я. Запевалов, П. А. Слепухин, М. И. Кодесс, В. И. Салоутин, О. Н. Чупахин
Изв. РАН. Сер. хим., Vol: 2016, No: 2 , published: 01 February 2016
Реакции окислительного нуклеофильного замещения алкилиодидов под действием перхлорат- и динитрамид-анионов. Синтез алкилзамещенных перхлоратов
Н. В. Яшин, Е. Б. Аверина, Ю. К. Гришин, В. Б. Рыбаков, Т. С. Кузнецова, Н. С. Зефиров
Изв. РАН. Сер. хим., Vol: 2016, No: 2 , published: 01 February 2016
Функционализированные изоксазольные и изотиазольные лиганды: дизайн, синтез, комплексы с палладием, гомогенный и гетерогенный катализ в водных средах
Н. А. Бумагин, В. И. Поткин
Изв. РАН. Сер. хим., Vol: 2016, No: 2 , published: 01 February 2016
Комплексы CuCl2 с дендримером низкой генерации G1-4S-Bu. Расчеты строения и физико-химических свойств методом DFT
А. И. Александров, И. Ю. Метленкова, А. Н. Тарасенков, Ю. А. Борисов
Изв. РАН. Сер. хим., Vol: 2016, No: 2 , published: 01 February 2016
Функционализированные изоксазольные и изотиазольные лиганды: дизайн, синтез, комплексы с палладием, гомогенный и гетерогенный катализ в водных средах
Н. А. Бумагин, В. И. Поткин
Изв. РАН. Сер. хим., Vol: 2016, No: 2 , published: 01 February 2016
Комплексы CuCl2 с дендримером низкой генерации G1-4S-Bu. Расчеты строения и физикохимических свойств методом DFT
А. И. Александров, И. Ю. Метленкова, А. Н. Тарасенков, Ю. А. Борисов
Изв. РАН. Сер. хим., Vol: 2016, No: 2 , published: 01 February 2016
Компьютерное моделирование перегруппировок LD LISC и LIESST комплекса  Fе(II) с фенантролиновым лигандом, функционализированным фотохромным хроменом
Старикова А.А., Стегленко Д.В., Стариков А.Г., Минкин В.И.
Докл. РАН, Vol: 468, 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
An experimental and theoretical study of core–valence double ionisation of acetaldehyde (ethanal)
S. Zagorodskikh, M. Vapa, O. Vahtras, V. Zhaunerchyk, M. Mucke, J. H. D. Eland, R. J. Squibb, P. Linusson, K. Jänkälä, H. Ågren and R. Feifel
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
Global optimization of clusters of rigid molecules using the artificial bee colony algorithm
Jun Zhang and Michael Dolg
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
The van der Waals interactions in rare-gas dimers: the role of interparticle interactions
Yu-Ting Chen, Kerwin Hui and Jeng-Da Chai
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
Precision measurement of the ionization energy of Cs i
Johannes Deiglmayr, Holger Herburger, Heiner Saßmannshausen, Paul Jansen, Hansjürg Schmutz, and Frédéric Merkt
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 28 January 2016
Photoelectron diffraction in methane probed via vibrationally resolved inner-valence photoionization cross-section ratios
Saikat Nandi, Etienne Plésiat, Minna Patanen, Catalin Miron, John D. Bozek, Fernando Martín, Daniele Toffoli and Piero Decleva
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
Photodissociation dynamics of ICH2Cl → CH2Cl + I*/I: photofragment translational spectroscopy at 304 and 277 nm
Min Cheng, Dan Lin, Lili Hu, Yikui Du and Qihe Zhu
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
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
Fluorescent Ag nanoclusters prepared in aqueous poly(acrylic acid-co-maleic acid) solutions: a spectroscopic study of their excited state dynamics, size and local environment
Manika Dandapat and Debabrata Mandal
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
Hydrogen bonding inside and outside carbon nanotubes: HF dimer as a case study
Agnieszka Roztoczyńska, Justyna Kozłowska, Paweł Lipkowski and Wojciech Bartkowiak
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
Unconventional CHδ+⋯N hydrogen bonding interactions in the stepwise solvation of the naphthalene radical cation by hydrogen cyanide and acetonitrile molecules
Sean P. Platt, Isaac K. Attah, M. S. El-Shall, Rifaat Hilal, Shaaban A. Elroby and Saadullah G. Aziz
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
Structure prediction of the solid forms of methanol: an ab initio random structure searching approach
Tzu-Jen Lin, Cheng-Rong Hsing, Ching-Ming Wei and Jer-Lai Kuo
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 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
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
Contrasting ring-opening propensities in UV-excited α-pyrone and coumarin
Daniel Murdock, Rebecca A. Ingle, Igor V. Sazanovich, Ian P. Clark, Yu Harabuchi, Tetsuya Taketsugu, Satoshi Maeda, Andrew J. Orr-Ewing and Michael N. R. Ashfold
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
Hydrogen-bonding and vibrational coupling of water in a hydrophobic hydration shell as observed by Raman-MCR and isotopic dilution spectroscopy
Mohammed Ahmed, Ajay K. Singh and Jahur A. Mondal
Phys. Chem. Chem. Phys., Vol: 18, No: 4 , published: 28 January 2016
Nonperturbative B-spline R-matrix-with-pseudostates calculations for electron-impact ionization-excitation of helium to the n=3 states of He+
Oleg Zatsarinny and Klaus Bartschat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 25 January 2016
Low-energy elastic electron scattering from ethylene: Elastic scattering and vibrational excitation
M. A. Khakoo, S. M. Khakoo, A. Sakaamini, B. A. Hlousek, L. R. Hargreaves, J. Lee, and R. Murase
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 20 January 2016
Rotational excitation of molecules with long sequences of intense femtosecond pulses
M. Bitter and V. Milner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 20 January 2016
Lifetime of the bound excited level in Ni
M. Kamińska, V. T. Davis, O. M. Hole, R. F. Nascimento, K. C. Chartkunchand, M. Blom, M. Björkhage, A. Källberg, P. Löfgren, P. Reinhed, S. Rosén, A. Simonsson, R. D. Thomas, S. Mannervik, P. A. Neill, J. S. Thompson, H. T. Schmidt, H. Cederquist, and D. Hanstorp
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 19 January 2016
Electron-impact single ionization of W19+ ions
Alexander Borovik, Jr., Benjamin Ebinger, Daniel Schury, Stefan Schippers, and Alfred Müller
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 19 January 2016
Spin-statistic selection rules for multiphoton transitions: Application to helium atoms
T. Zalialiutdinov, D. Solovyev, L. Labzowsky, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 14 January 2016
Exploring the role of the 3-center–4-electron bond in hypervalent λ3-iodanes using the methodology of domain averaged Fermi holes
Halua Pinto de Magalhães, Hans Peter Lüthi and Patrick Bultinck
Phys. Chem. Chem. Phys., Vol: 18, No: 2 , published: 14 January 2016
Promoting and inhibiting tunneling via nuclear motions
Attila G. Császár and Tibor Furtenbacher
Phys. Chem. Chem. Phys., Vol: 18, No: 2 , published: 14 January 2016
Resonant production of high-lying states in the microwave ionization of Na
A. Arakelyan and T. F. Gallagher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 14 January 2016
Quantum optimal control of photoelectron spectra and angular distributions
R. Esteban Goetz, Antonia Karamatskou, Robin Santra, and Christiane P. Koch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 14 January 2016
Using the C–O stretch to unravel the nature of hydrogen bonding in low-temperature solid methanol–water condensates
Anita Dawes, Nigel John Mason and Helen Jane Fraser
Phys. Chem. Chem. Phys., Vol: 18, No: 2 , published: 14 January 2016
Structural motifs of 2-(2-fluoro-phenyl)-ethylamine conformers
Nitzan Mayorkas, Hanan Sachs, Markus Schütz, Shun-ichi Ishiuchi, Masaaki Fujii, Otto Dopfer and Ilana Bar
Phys. Chem. Chem. Phys., Vol: 18, No: 2 , published: 14 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
Towards the first theoretical scale of the trans effect in octahedral complexes
Frédéric Guégan, Vincent Tognetti, Laurent Joubert, Henry Chermette, Dominique Luneau and Christophe Morell
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
Positronium decay from n=2 states in electric and magnetic fields
A. M. Alonso, B. S. Cooper, A. Deller, S. D. Hogan, and D. B. Cassidy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 13 January 2016
Adiabatic electronic flux density: A Born-Oppenheimer broken-symmetry ansatz
Vincent Pohl and Jean Christophe Tremblay
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 12 January 2016
Stark effect in low-dimensional hydrogen
Thomas Garm Pedersen, Héctor Mera, and Branislav K. Nikolić
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 12 January 2016
Shielding 2Σ ultracold dipolar molecular collisions with electric fields
Goulven Quéméner and John L. Bohn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 11 January 2016
Proton transfer in acetylacetone and its α-halo derivatives
Fatemeh Dolati, Sayyed Faramarz Tayyari, Mohammad Vakili and Yan Alexander Wang
Phys. Chem. Chem. Phys., Vol: 18, No: 1 , published: 07 January 2016
The role of interparticle interaction and environmental coupling in a two-particle open quantum system
Humberto G. Laguna, Robin P. Sagar, David G. Tempel and Alán Aspuru-Guzik
Phys. Chem. Chem. Phys., Vol: 18, No: 1 , published: 07 January 2016
Unveiling the peculiar hydrogen bonding behavior of solvated N-heterocyclic carbenes
Oldamur Hollóczki
Phys. Chem. Chem. Phys., Vol: 18, No: 1 , published: 07 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
The vibrational spectroscopy of the coordinated azide anion; a theoretical study
Eliano Diana, Karl Gatterer and Sidney F. A. Kettle
Phys. Chem. Chem. Phys., Vol: 18, No: 1 , published: 07 January 2016
Rotational spectroscopy of the atmospheric photo-oxidation product o-toluic acid and its monohydrate
Elijah G. Schnitzler, Brandi L. M. Zenchyzen and Wolfgang Jäger
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
Femtosecond predissociation dynamics of the methyl radical from the 3pz Rydberg state
Garikoitz Balerdi, Joanne Woodhouse, Alexander Zanchet, Rebeca de Nalda, María L. Senent, Alberto García-Vela and Luis Bañares
Phys. Chem. Chem. Phys., Vol: 18, No: 1 , published: 07 January 2016
Ab initio variational predictions for understanding highly congested spectra: rovibrational assignment of 108 new methane sub-bands in the icosad range (6280–7800 cm−1)
Michaël Rey, Andrei V. Nikitin, Alain Campargue, Samir Kassi, Didier Mondelain and Vladimir G. Tyuterev
Phys. Chem. Chem. Phys., Vol: 18, No: 1 , published: 07 January 2016
Vibrational anharmonicity of small gold and silver clusters using the VSCF method
Luis A. Mancera and David M. Benoit
Phys. Chem. Chem. Phys., Vol: 18, No: 1 , published: 07 January 2016
Induced chemistry by scattering of electrons from magnesium oxide
Minaxi Vinodkumar, Hardik Desai, P. C. Vinodkumar, and Nigel Mason
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 06 January 2016
Identification of overlapping resonances in dissociative electron attachment to chlorine molecules
Pamir Nag and Dhananjay Nandi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 05 January 2016
Development of the configuration-interaction + all-order method and application to the parity-nonconserving amplitude and other properties of Pb
S. G. Porsev, M. G. Kozlov, M. S. Safronova, and I. I. Tupitsyn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 04 January 2016
State flip at exceptional points in atomic spectra
Henri Menke, Marcel Klett, Holger Cartarius, Jörg Main, and Günter Wunner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 04 January 2016
Time-dependent density-functional-theory studies of collisions involving He atoms: Extension of an adiabatic correlation-integral model
Matthew Baxter and Tom Kirchner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 93, No: 1 , published: 04 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
Why we need an electron-ion collider
Raju Venugopalan
Annalen der Physik , Vol: 528, No: 1-2 , published: 01 January 2016
Future e+e linear colliders - physics motivation and physics reach
Hitoshi Yamamoto
Annalen der Physik , Vol: 528, No: 1-2 , published: 01 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
Экспериментальное и теоретическое исследование топологических и энергетических характеристик электронной плотности в кристаллах о-амидофенолятных комплексов SbV
Г. К. Фукин, М. А. Самсонов, Е. В. Баранов, А. И. Поддельский, В. К. Черкасов
Изв. РАН. Сер. хим., Vol: 2016, No: 1 , published: 01 January 2016
Получение и реакционная способность металлосодержащих мономеров Сообщение 76.* Наноструктурированные материалы, получаемые контролируемым термолизом азометиновых хелатных металлокомплексов Ni, Co и Cu
А. Д. Помогайло, Г. И. Джардималиева, С. И. Помогайло, Н. Д. Голубева, Г. В. Шилов, Э. А. Джавадян, А. С. Бурлов, С. А. Мащенко, Д. А. Гарновский
Изв. РАН. Сер. хим., Vol: 2016, No: 1 , published: 01 January 2016
Relativistic configuration-interaction calculations for atoms with one valence electron based on altering hydrogenlike or Dirac-Fock spin orbitals
Leszek Głowacki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 30 December 2015
Dipole phase and photoelectron group delay in inner-shell photoionization
A. S. Kheifets, S. Saha, P. C. Deshmukh, D. A. Keating, and S. T. Manson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 28 December 2015
Absolute single-photoionization cross sections of Se2+: Experiment and theory
D. A. Macaluso, A. Aguilar, A. L. D. Kilcoyne, E. C. Red, R. C. Bilodeau, R. A. Phaneuf, N. C. Sterling, and B. M. McLaughlin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 28 December 2015
Revealing photofragmentation dynamics through interactions between Rydberg states: REMPI of HI as a case study
Helgi Rafn Hróðmarsson and Ágúst Kvaran
Phys. Chem. Chem. Phys., Vol: 17, No: 48 , published: 28 December 2015
Internal conversion outcompetes autodetachment from resonances in the deprotonated tetracene anion continuum
James N. Bull, Christopher W. West and Jan R. R. Verlet
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
Photodissociation of medium-sized argon cluster cations in the visible region
Martin Stachoň, Aleš Vítek and René Kalus
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
Two equivalent methyl internal rotations in 2,5-dimethylthiophene investigated by microwave spectroscopy
Vinh Van, Wolfgang Stahl and Ha Vinh Lam Nguyen
Phys. Chem. Chem. Phys., Vol: 17, No: 48 , published: 28 December 2015
Isotope-edited FTIR reveals distinct aggregation and structural behaviors of unmodified and pyroglutamylated amyloid β peptides
Greg Goldblatt, Jason O. Matos, Jeremy Gornto and Suren A. Tatulian
Phys. Chem. Chem. Phys., Vol: 17, No: 48 , published: 28 December 2015
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
Three-body-fragmentation dynamics of CO24+ investigated by electron collisions at an impact energy of 500 eV
Enliang Wang, Xu Shan, Zhenjie Shen, Xingyu Li, Maomao Gong, Yaguo Tang, and Xiangjun Chen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 23 December 2015
Optimizing a parametrized Thomas–Fermi–Dirac–Weizsäcker density functional for atoms
L. A. Espinosa Leal, A. Karpenko, M. A. Caro and O. Lopez-Acevedo
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
A weight averaged approach for predicting amide vibrational bands of a sphingomyelin bilayer
Kiyoshi Yagi, Pai-Chi Li, Koichiro Shirota, Toshihide Kobayashi and Yuji Sugita
Phys. Chem. Chem. Phys., Vol: 17, No: 43 , published: 21 December 2015
Real-space numerical grid methods in quantum chemistry
Luca Frediani and Dage Sundholm
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Accurate and efficient linear scaling DFT calculations with universal applicability
Stephan Mohr, Laura E. Ratcliff, Luigi Genovese, Damien Caliste, Paul Boulanger, Stefan Goedecker and Thierry Deutsch
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Xavier Andrade, David Strubbe, Umberto De Giovannini, Ask Hjorth Larsen, Micael J. T. Oliveira, Joseba Alberdi-Rodriguez, Alejandro Varas, Iris Theophilou, Nicole Helbig, Matthieu J. Verstraete, Lorenzo Stella, Fernando Nogueira, Alán Aspuru-Guzik, Alberto Castro, Miguel A. L. Marques and Angel Rubio
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Multiresolution quantum chemistry in multiwavelet bases: excited states from time-dependent Hartree–Fock and density functional theory via linear response
Takeshi Yanai, George I. Fann, Gregory Beylkin and Robert J. Harrison
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Configuration interaction singles based on the real-space numerical grid method: Kohn–Sham versus Hartree–Fock orbitals
Jaewook Kim, Kwangwoo Hong, Sunghwan Choi, Sang-Yeon Hwang and Woo Youn Kim
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
An adaptive finite-element method for large-scale ab initio molecular dynamics simulations
Eiji Tsuchida, Yoong-Kee Choe and Takahiro Ohkubo
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Numerically accurate linear response-properties in the configuration-interaction singles (CIS) approximation
Jakob S. Kottmann, Sebastian Höfener and Florian A. Bischoff
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
A real-space stochastic density matrix approach for density functional electronic structure
Thomas L. Beck
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
The grid-based fast multipole method – a massively parallel numerical scheme for calculating two-electron interaction energies
Elias A. Toivanen, Sergio A. Losilla and Dage Sundholm
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Tensor numerical methods in quantum chemistry: from Hartree–Fock to excitation energies
Venera Khoromskaia and Boris N. Khoromskij
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Fock-exchange for periodic structures in the real-space formalism and the KLI approximation
Amir Natan
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Orbital free DFT versus single density equation: a perspective through quantum domain behavior of a classically chaotic system
Debdutta Chakraborty, Susmita Kar and Pratim Kumar Chattaraj
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Singular analysis and coupled cluster theory
Heinz-Jürgen Flad, Gohar Harutyunyan and Bert-Wolfgang Schulze
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
High order forces and nonlocal operators in a Kohn–Sham Hamiltonian
N. Scott Bobbitt, Grady Schofield, Charles Lena and James R. Chelikowsky
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Wavelet formulation of the polarizable continuum model. II. Use of piecewise bilinear boundary elements
Monica Bugeanu, Roberto Di Remigio, Krzysztof Mozgawa, Simen Sommerfelt Reine, Helmut Harbrecht and Luca Frediani
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Multipole-preserving quadratures for the discretization of functions in real-space electronic structure calculations
Luigi Genovese and Thierry Deutsch
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 December 2015
Unusual bonding modes of perfluorobenzene in its polymeric (dimeric, trimeric and tetrameric) forms: entirely negative fluorine interacting cooperatively with entirely negative fluorine
Pradeep R. Varadwaj, Arpita Varadwaj and Bih-Yaw Jin
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , published: 21 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
Symmetry breaking in the planar configurations of disilicon tetrahalides: Pseudo-Jahn–Teller effect parameters, hardness and electronegativity
Ghazaleh Kouchakzadeh and Davood Nori-Shargh
Phys. Chem. Chem. Phys., Vol: 17, No: 43 , published: 21 December 2015
Excited-state dynamics of guanosine in aqueous solution revealed by time-resolved photoelectron spectroscopy: experiment and theory
Franziska Buchner, Berit Heggen, Hans-Hermann Ritze, Walter Thiel and Andrea Lübcke
Phys. Chem. Chem. Phys., Vol: 17, No: 47 , 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
Dynamic and static behavior of hydrogen bonds of the X–H⋯π type (X = F, Cl, Br, I, RO and RR′N; R, R′ = H or Me) in the benzene π-system, elucidated by QTAIM dual functional analysis
Yuji Sugibayashi, Satoko Hayashi and Waro Nakanishi
Phys. Chem. Chem. Phys., Vol: 17, No: 43 , published: 21 December 2015
Anion states and fragmentation of 2-chloroadenine upon low-energy electron collisions
F. Kossoski, J. Kopyra and M. T. do N. Varella
Phys. Chem. Chem. Phys., Vol: 17, No: 43 , published: 21 December 2015
Differential ionization of a one-electron target under bare-ion impact: Application to proton-impact ionization of atomic hydrogen
H. R. J. Walters and Colm T. Whelan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 21 December 2015
Structures and relative stabilities of ammonia clusters at different temperatures: DFT vs. ab initio
Alhadji Malloum, Jean Jules Fifen, Zoubeida Dhaouadi, Serge Guy Nana Engo and Nejm-Eddine Jaidane
Phys. Chem. Chem. Phys., Vol: 17, No: 43 , published: 21 December 2015
Predicting Trigger Bonds in Explosive Materials through Wiberg Bond Index Analysis
Lenora K. Harper, Ashley L. Shoaf, Craig A. Bayse
ChemPhysChem., Vol: 16, No: 18 , 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
Electron Density Analysis of Hyperconjugation
S. M. Azami
ChemPhysChem., Vol: 16, No: 18 , published: 21 December 2015
Origin of the cusp in the transverse momentum distribution for the process of strong-field ionization
I. A. Ivanov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 18 December 2015
Distance dependence of two-atom dipole interactions with one atom in an excited state
Peter W. Milonni and Seyed Mohammad Hashemi Rafsanjani
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 17 December 2015
Quantum coherence effects in natural light-induced processes: cistrans photoisomerization of model retinal under incoherent excitation
Timur V. Tscherbul and Paul Brumer
Phys. Chem. Chem. Phys., Vol: 17, No: 46 , published: 14 December 2015
Electronic coherence and the kinetics of inter-complex energy transfer in light-harvesting systems
Pengfei Huo and Thomas F. Miller III
Phys. Chem. Chem. Phys., Vol: 17, No: 46 , published: 14 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
Photoelectron spectroscopy and density functional calculations of CnSm (n = 2–7; m = 1, 2) clusters
Xi-Ling Xu, Xiao-Jiao Deng, Hong-Guang Xu and Wei-Jun Zheng
Phys. Chem. Chem. Phys., Vol: 17, No: 46 , published: 14 December 2015
Broad universal Feshbach resonances in the chaotic spectrum of dysprosium atoms
T. Maier, I. Ferrier-Barbut, H. Kadau, M. Schmitt, M. Wenzel, C. Wink, T. Pfau, K. Jachymski, and P. S. Julienne
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 14 December 2015
Ionization-site effects on the photofragmentation of chloro- and bromoacetic acid molecules
Helena Levola, Eero Itälä, Kim Schlesier, Kuno Kooser, Sanna Laine, Joakim Laksman, Dang Trinh Ha, Elisabeth Rachlew, Marta Tarkanovskaja, Katrin Tanzer, and Edwin Kukk
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 10 December 2015
Analytic solution and pulse area theorem for three-level atoms
Gavriil Shchedrin, Chris O'Brien, Yuri Rostovtsev, and Marlan O. Scully
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 09 December 2015
Measurement of Rb 5P3/2 scalar and tensor polarizabilities in a 1064-nm light field
Yun-Jhih Chen, Luís Felipe Gonçalves, and Georg Raithel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 09 December 2015
Experimental determination of multiple ionization cross sections in Si by electron impact
Pablo Daniel Pérez, Andrés Sepúlveda, Gustavo Castellano, and Jorge Trincavelli
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 09 December 2015
Modification of the quantum mechanical flux formula for electron-hydrogen ionization through Bohm's velocity field
J. M. Randazzo and L. U. Ancarani
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 08 December 2015
Classical treatment of the electron emission from collisions of uracil molecules with fast protons
L. Sarkadi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 08 December 2015
Dynamic atomic contributions to infrared intensities of fundamental bands
Arnaldo F. Silva, Wagner E. Richter, Adalberto B. M. S. Bassi and Roy E. Bruns
Phys. Chem. Chem. Phys., Vol: 17, No: 45 , published: 07 December 2015
Atomistic bond relaxation, energy entrapment, and electron polarization of the RbN and CsN clusters (N ≤ 58)
Yongling Guo, Maolin Bo, Yan Wang, Yonghui Liu, Yongli Huang and Chang Q. Sun
Phys. Chem. Chem. Phys., Vol: 17, No: 45 , published: 07 December 2015
Multi-center covalency: revisiting the nature of anion–π interactions
Cina Foroutan-Nejad, Zahra Badri and Radek Marek
Phys. Chem. Chem. Phys., Vol: 17, No: 45 , published: 07 December 2015
Four-level N-scheme crossover resonances in Rb saturation spectroscopy in magnetic fields
S. Scotto, D. Ciampini, C. Rizzo, and E. Arimondo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 07 December 2015
Demystifying fluorine chemical shifts: electronic structure calculations address origins of seemingly anomalous 19F-NMR spectra of fluorohistidine isomers and analogues
Chandana Kasireddy, James G. Bann and Katie R. Mitchell-Koch
Phys. Chem. Chem. Phys., Vol: 17, No: 45 , published: 07 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
Plasmon-mediated electron emission from the coronene molecule under fast ion impact
Shubhadeep Biswas and L. C. Tribedi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 07 December 2015
Interplay of experiment and theory: high resolution infrared spectrum and accurate equilibrium structure of BF2OH
Natalja Vogt, Jean Demaison, Heinz Dieter Rudolph and Agnès Perrin
Phys. Chem. Chem. Phys., Vol: 17, No: 45 , published: 07 December 2015
H2O–CH4 and H2S–CH4 complexes: a direct comparison through molecular beam experiments and ab initio calculations
David Cappelletti, Alessio Bartocci, Federica Frati, Luiz F. Roncaratti, Leonardo Belpassi, Francesco Tarantelli, Prabha Aiswarya Lakshmi, Elangannan Arunan and Fernando Pirani
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
Hydrogen bond mediated stabilization of the salt bridge structure for the glycine dimer anion
S. Heiles, Richard J. Cooper, Giel Berden, Jos Oomens and Evan R. Williams
Phys. Chem. Chem. Phys., Vol: 17, No: 45 , published: 07 December 2015
Explicitly correlated wave function for a boron atom
Mariusz Puchalski, Jacek Komasa, and Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 04 December 2015
Absolute frequency and isotope shift of the magnesium (3s2)1S0(3s3d)1D2 two-photon transition by direct frequency-comb spectroscopy
E. Peters, S. Reinhardt, Th. W. Hänsch, and Th. Udem
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 03 December 2015
Inelastic processes in Na+-Ne, Na+-Ar, Ne+-Na, and Ar+-Na collisions in the energy range 0.5–14 keV
R. A. Lomsadze, M. R. Gochitashvili, and R. Ya. Kezerashvili
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 02 December 2015
Лазерная диагностика спектра энергии ридберговских состояний атома лития- 7
Зеленер Б.Б., Саакян С.А., Саутенков В.А., Маныкин Э.А., Зеленер Б.В., Фортов В.Е.
Ж. эксперим. и теор. физ., Vol: 148, No: 6 , published: 01 December 2015
Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2(CN)5]−1 Anions
Jin-Feng Li, Miao-Miao Li, Hongcun Bai, Yin-Yin Sun, Jian-Li Li and Bing Yin
ChemPhysChem., Vol: 16, No: 17 , published: 01 December 2015
Релятивистский эффект иода в химических сдвигах ЯМР 13С иодметанов по результатам релятивистских квантово-химических расчетов в рамках полной четырехкомпонентной схемы Дирака—Кулона
Д. О. Самульцев, Ю. Ю. Русаков, Л. Б. Кривдин
Изв. РАН. Сер. хим., Vol: 2015, No: 12 , published: 01 December 2015
Синтез та рентгеноструктурний аналiз 7-(дiетиламiно)-2-етокси-3-(4-нiтрофенiл)-2H-бензо(e(1,2)оксафосфiнiн 2-оксиду
I. В. Кулай, С. Маллет-Ладейра, В. О. Ковтуненко, З. В. Войтенко
Доп. Нац. АН Украïни, Vol: 2015, No: 12 , published: 01 December 2015
Ultracold magnetically tunable interactions without radiative-charge-transfer losses between Ca+, Sr+, Ba+, and Yb+ ions and Cr atoms
Michał Tomza
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 01 December 2015
Intense field double detachment of atomic versus molecular anions
Y. Albeck, G. Lerner, D. M. Kandhasamy, V. Chandrasekaran, and D. Strasser
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 6 , published: 01 December 2015
Расчет возможной стабилизации гликозил-карбокатионов в фуранозидах различными теоретическими методами
А. Г. Гербст, В. Б. Крылов, Д. З. Винницкий, Н. Е. Устюжанина, Н. Э. Нифантьев
Изв. РАН. Сер. хим., Vol: 2015, No: 12 , published: 01 December 2015
Небiволол: квантово-хiмiчнi властивостi
Казакова О. О., Довгань Р. С., Загородний М. I., Чекман I. С.
Доп. Нац. АН Украïни, Vol: 2015, No: 12 , published: 01 December 2015
Расчет структурных и электрооптических параметров ван-дер-ваальсова комплекса молекулы co с катионом Li+
Буланин К.М., Булычев В.П., Бутурлимова М.В.
Оптика и спектроскопия, Vol: 119, No: 6 , published: 01 December 2015
Бисборгидридные комплексы иттрия, содержащие амидинатные лиганды [о-Me2NC6H4CH2C(NR)2]Y(BH4)2Ln (R = Pri, L = DME, n = 1; R = Cy, L = THF, n = 2). Синтез, строение и каталитическая активность в полимеризации рац-лактида и изопрена
Г. Г. Скворцов, А. В. Черкасов, Г. К. Фукин, А. А. Трифонов
Изв. РАН. Сер. хим., Vol: 2015, No: 12 , published: 01 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
Изомеризация [trans-B20H18]2→ [iso-B20H18]2  в процессе комплексообразования серебра(I) с трифенилфосфином
Фирсова Е.О., Авдеева В.В., Привалов В.И., Вотинова Н.А., Малинина Е.А., Кузнецов А.Р.Н.Т.
Докл. РАН, Vol: 465, No: 5 , published: 01 December 2015
Водородные связи, координационная изомерия и каталитическое дегидрирование спиртов бифункциональным пинцетным комплексом иридия (HOCH2)2(PCsp3P)IrHCl
Г. А. Силантьев, Е. М. Титова, О. А. Филиппов, Е. И. Гуцул, Д. Гельман, Н. В. Белкова
Изв. РАН. Сер. хим., Vol: 2015, No: 12 , published: 01 December 2015
The Electronic Structure of Some Cyanohydrins—A Spectroscopically Under-Investigated Family of Compounds
Anna Chrostowska, Clovis Darrigan, Alain Dargelos, Abdessamad Benidar and Jean-Claude Guillemin
ChemPhysChem., Vol: 16, No: 17 , published: 01 December 2015
Quantum theory of concerted electronic and nuclear fluxes associated with adiabatic intramolecular processes
Timm Bredtmann, Dennis J. Diestler, Si-Dian Li, Jörn Manz, Jhon Fredy Pérez-Torres, Wen-Juan Tian, Yan-Bo Wu, Yonggang Yang and Hua-Jin Zhai
Phys. Chem. Chem. Phys., Vol: 17, No: 44 , published: 28 November 2015
Identifying and avoiding singularity-induced local traps over control landscapes of spin chain systems
Qiuyang Sun, István Pelczer, Gregory Riviello, Re-Bing Wu and Herschel Rabitz
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
New insights into the photodissociation of methyl iodide at 193 nm: stereodynamics and product branching ratios
Sonia Marggi Poullain, Marta G. González, Peter C. Samartzis, Theofanis N. Kitsopoulos, Luis Rubio-Lago and Luis Bañares
Phys. Chem. Chem. Phys., Vol: 17, No: 44 , published: 28 November 2015
A magnetooptical study of (4-(2-dibutylaminoethanolato-N,O,O,O) chlorido copper(II)): a cubane complex with dominant ferromagnetic interactions
Serghei M. Ostrovsky, Zbigniew Tomkowicz and Wolfgang Haase
Phys. Chem. Chem. Phys., Vol: 17, No: 44 , published: 28 November 2015
Femtosecond 2DIR spectroscopy of the nitrile stretching vibration of thiocyanate anions in liquid-to-supercritical heavy water. Spectral diffusion and libration-induced hydrogen-bond dynamics
Denis Czurlok, Michael von Domaros, Martin Thomas, Jeannine Gleim, Jörg Lindner, Barbara Kirchner and Peter Vöhringer
Phys. Chem. Chem. Phys., Vol: 17, No: 44 , published: 28 November 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
Unified calculation of generalized oscillator strength of argon ranging from bound to continuum states
Xiang Gao, Rui Jin, De-Ling Zeng, Xiao-Ying Han, Jun Yan, and Jia-Ming Li
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 25 November 2015
Structural information about the Ar6 cluster from the frozen-Gaussian imaginary-time propagator
Holger Cartarius
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 24 November 2015
Finite-field calculation of static polarizabilities and hyperpolarizabilities of In+ and Sr
Yan-mei Yu, Bing-bing Suo, Hui-hui Feng, Heng Fan, and Wu-Ming Liu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 23 November 2015
Relativistic configuration interaction plus linearized-coupled-cluster calculations of U2+ energies, g factors, transition rates, and lifetimes
I. Savukov, U. I. Safronova, and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 23 November 2015
Kinetic-energy transfer in highly-charged-ion collisions with carbon
R. E. Lake and N. R. Arista
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 23 November 2015
Measurements of the ground-state polarizabilities of Cs, Rb, and K using atom interferometry
Maxwell D. Gregoire, Ivan Hromada, William F. Holmgren, Raisa Trubko, and Alexander D. Cronin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 20 November 2015
Compton scattering of two x-ray photons by an atom
Alexey N. Hopersky, Alexey M. Nadolinsky, and Sergey A. Novikov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 20 November 2015
Breakdown of atomic hyperfine coupling in a deep optical-dipole trap
Andreas Neuzner, Matthias Körber, Stephan Dürr, Gerhard Rempe, and Stephan Ritter
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 18 November 2015
Multiphoton-scattering theory and generalized master equations
Tao Shi, Darrick E. Chang, and J. Ignacio Cirac
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 16 November 2015
Propensity for distinguishing two free electrons with equal energies in electron-impact ionization of helium
Xueguang Ren, Arne Senftleben, Thomas Pflüger, Klaus Bartschat, Oleg Zatsarinny, Jamal Berakdar, James Colgan, Michael S. Pindzola, Igor Bray, Dmitry V. Fursa, and Alexander Dorn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 16 November 2015
Recent advances in the chemical physics of nanoalloys
Riccardo Ferrando, Roy L. Johnston and Catherine Louis
Phys. Chem. Chem. Phys., Vol: 17, No: 42 , published: 14 November 2015
Ab initio and anion photoelectron study of AunRhm (n = 1–7, m = 1–2) clusters
Fernando Buendía, Marcela R. Beltrán, Xinxing Zhang, Gaoxiang Liu, Allyson Buytendyk and Kit Bowen
Phys. Chem. Chem. Phys., Vol: 17, No: 42 , published: 14 November 2015
Hyperfine structure of P 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: 92, No: 5 , published: 09 November 2015
Theoretical studies of the long lifetimes of the 6d2D3/2,5/2 states in Fr: Implications for parity-nonconservation measurements2
B. K. Sahoo and B. P. Das
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 09 November 2015
Do resonance-assisted intramolecular halogen bonds exist without a charge transfer and a σ-hole?
B. Vijaya Pandiyan, P. Deepa and P. Kolandaivel
Phys. Chem. Chem. Phys., Vol: 17, No: 41 , published: 07 November 2015
Imidazole tailored deep eutectic solvents for CO2 capture enhanced by hydrogen bonds
Lingdi Cao, Junhua Huang, Xiangping Zhang, Suojiang Zhang, Jubao Gao and Shaojuan Zeng
Phys. Chem. Chem. Phys., Vol: 17, No: 41 , published: 07 November 2015
Dynamic polarizabilities and hyperfine-structure constants for Sc2+
Narendra Nath Dutta, Sourav Roy, and P. C. Deshmukh
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 06 November 2015
Influence of wavelength on nonadiabatic effects in circularly polarized strong-field ionization
MingHu Yuan, GuangJiu Zhao, and HongPing Liu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 05 November 2015
Isotope shifts and hyperfine structure of the laser-cooling Fe I 358-nm line
N. Huet, M. Pettens, and T. Bastin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 04 November 2015
Multiconfiguration Dirac-Hartree-Fock calculations of excitation energies, oscillator strengths, and hyperfine structure constants for low-lying levels of Sm I
Fuyang Zhou, Yizhi Qu, Jiguang Li, and Jianguo Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 03 November 2015
Appraising nuclear-octupole-moment contributions to the hyperfine structures in211 Fr
B. K. Sahoo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 03 November 2015
Electron-scattering studies of carbonyl fluoride
Jaspreet Kaur, Nigel Mason, and Bobby Antony
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 03 November 2015
High-precision measurements of the 87 Rb D-line tune-out wavelength
R. H. Leonard, A. J. Fallon, C. A. Sackett, and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 02 November 2015
Modeling magneto-optical trapping of CaF molecules
M. R. Tarbutt and T. C. Steimle
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 02 November 2015
B-spline R-matrix-with-pseudostates calculations for electron collisions with aluminum
Viktor Gedeon, Sergej Gedeon, Vladimir Lazur, Elizabeth Nagy, Oleg Zatsarinny, and Klaus Bartschat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 5 , published: 02 November 2015
Анализ фурье-спектра высокого разрешения полосы v6 молекулы cis-C2H2D2
Конов И.А., Чертавских Ю.В., Фомченко А.Л., Аслаповская Ю.С., Жданович С.А., Зидо К.
Изв. вузов. Физ., Vol: 58, No: 11 , published: 01 November 2015
Прототропное равновесие в 1(11)H-2,3,4,5-тетрагидро[1,3]диазепино[1,2-а]бензимидазоле, синтез и фармакологические свойства его N-замещенных производных
А. С. Морковник, А. А. Спасов, Т. А. Кузьменко, А. Ф. Кучерявенко, Л. Н. Диваева, Ю. В. Кощиенко, В. А. Анисимова, Л. Г. Кузьмина, Н. В. Рогова, В. А. Кузнецова, Н. И. Чепляева, О. А. Соловьева, А. С. Таран, Е. С. Воробьев, Д. А. Алешин, В. С. Сиротенко, К. А. Гайдукова, М. В. Богославцева
Изв. РАН. Сер. хим., Vol: 2015, No: 11 , published: 01 November 2015
Комплексы боразина и его аналогов с кислотами и основаниями Льюиса
А. С. Лисовенко, А. Ю. Тимошкин
Изв. РАН. Сер. хим., Vol: 2015, No: 11 , published: 01 November 2015
Синтез и особенности спектров ЯМР 13С N-замещенных азиридино[60]фуллеренов
Л. М. Халилов, А. Р. Тулябаев, А. Р. Ахметов, А. Р. Туктаров
Изв. РАН. Сер. хим., Vol: 2015, No: 11 , published: 01 November 2015
Синтез хиральных 3,7-диазабицикло[3.3.1]нонан-9-онов, содержащих (R)-аминокислотные фрагменты
Л. И. Власова, Н. З. Байбулатова, Р. А. Новиков, Ю. В. Томилов, В. А. Докичев
Изв. РАН. Сер. хим., Vol: 2015, 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
Возбуждение паров селена электронным ударом
Эрдевди Н.М., Шпеник О.Б., Маркуш П.П.
Оптика и спектроскопия, Vol: 119, No: 5 , 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
Кристаллическая структура и термическое поведение комплексов галогенидов металлов 13-й группы с лигандами пиридинового типа
Т. Н. Севастьянова, Е. И. Давыдова, И. В. Казаков, А. Ю. Тимошкин
Изв. РАН. Сер. хим., Vol: 2015, No: 11 , published: 01 November 2015
Синтез и структура новых динитрозильных комплексов железа с тиолятными мостиковыми лигандами [Fe2(μ-SR)2(NO)4]
П. Б. Давидович, В. В. Гуржий, А. В. Гарабаджиу, А. Н. Беляев
Изв. РАН. Сер. хим., Vol: 2015, No: 11 , published: 01 November 2015
Функционально замещенные амиды меркаптоуксусной и пропионовой кислот: синтез, особенности циклопалладирования и каталитическая активность металлокомплексов
С. Г. Чурусова, Д. В. Алексанян, З. С. Клеменкова, Ю. В. Нелюбина, О. И. Артюшин, А. А. Васильев, В. А. Козлов, Д. В. Судариков, С. А. Рубцова
Изв. РАН. Сер. хим., Vol: 2015, No: 11 , published: 01 November 2015
Isolation and Structural Characterization of a Metallacyclic Compound by Selective Protection of a Single CO Ligand in a Ruthenium Complex
Dai Oyama, Takashi Hamada, Narumi Ukawa, Ryuta Mochizuki, Tsugiko Takase
Bull. Chem. Soc. Jpn., Vol: 88, 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
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
Field-dressed orbitals in strong-field molecular ionization
Robert Siemering, Oumarou Njoya, Thomas Weinacht, and Regina de Vivie-Riedle
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 30 October 2015
Comparison of experimental and theoretical electron-impact-ionization triple-differential cross sections for ethane
Esam Ali, Kate Nixon, Andrew Murray, Chuangang Ning, James Colgan, and Don Madison
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 30 October 2015
Efficient approach to include molecular polarizations using charge and atom dipole response kernels to calculate free energy gradients in the QM/MM scheme
Toshio Asada, Kanta Ando, Koji Sakurai, Shiro Koseki and Masataka Nagaoka
Phys. Chem. Chem. Phys., Vol: 17, No: 40 , published: 28 October 2015
Time-resolved photoionization spectroscopy of mixed Rydberg-valence states: indole case study
Magdalena M. Zawadzki, James O. F. Thompson, Emma A. Burgess, Martin J. Paterson and Dave Townsend
Phys. Chem. Chem. Phys., Vol: 17, No: 40 , published: 28 October 2015
Superhalogens beget superhalogens: a case study of (BO2)n oligomers
Anil K. Kandalam, Boggavarapu Kiran, P. Jena, S. Pietsch and G. Ganteför
Phys. Chem. Chem. Phys., Vol: 17, No: 40 , published: 28 October 2015
Probing hydrogen bonding orbitals: resonant inelastic soft X-ray scattering of aqueous NH3
L. Weinhardt, E. Ertan, M. Iannuzzi, M. Weigand, O. Fuchs, M. Bär, M. Blum, J. D. Denlinger, W. Yang, E. Umbach, M. Odelius and C. Heske
Phys. Chem. Chem. Phys., Vol: 17, No: 40 , published: 28 October 2015
Electron elastic scattering off A@C60: The role of atomic polarization under confinement
V. K. Dolmatov, M. Ya. Amusia, and L. V. Chernysheva
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 28 October 2015
Detection of the Elusive Triazane Molecule (N3H5) in the Gas Phase
Marko Förstel, Pavlo Maksyutenko, Brant M. Jones, Bing-Jian Sun, Shih-Hua Chen, Agnes. H.-H. Chang, Ralf I. Kaiser
ChemPhysChem., Vol: 16, No: 15 , published: 26 October 2015
Uniform Reduction of Scalar Coupling by Real-Time Homonuclear J-Downscaled NMR
Simon Glanzer, Klaus Zangger
ChemPhysChem., Vol: 16, No: 15 , published: 26 October 2015
Enhanced magnetic trap loading for atomic strontium
D. S. Barker, B. J. Reschovsky, N. C. Pisenti, and G. K. Campbell
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 26 October 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
Proton Migration in Clusters Consisting of Protonated Pyridine Solvated by Water Molecules
Francis Berthias, Linda Feketeová, Henry Chermette, Valérian Forquet, Christophe Morell, Hassan Abdoul-Carime, Bernadette Farizon, Michel Farizon, Tilmann D. Märk
ChemPhysChem., Vol: 16, No: 15 , published: 26 October 2015
Multicomponent Molecular Orbital–Climbing Image–Nudged Elastic Band Method to Analyze Chemical Reactions Including Nuclear Quantum Effect
Taro Udagawa, Kimichi Suzuki, Masanori Tachikawa
ChemPhysChem., Vol: 16, No: 15 , published: 26 October 2015
A Study of the Solvation Structure of l-Leucine in Alcohol–Water Binary Solvents through Molecular Dynamics Simulations and FTIR and NMR Spectroscopy
Toshiyuki Takamuku, Yohei Hatomoto, Junko Tonegawa, Youichi Tsutsumi, Tatsuya Umecky
ChemPhysChem., Vol: 16, No: 15 , published: 26 October 2015
Ga+ Basicity and Affinity Scales Based on High-Level Ab Initio Calculations
Oriana Brea, Otilia Mó, Manuel Yáñez
ChemPhysChem., Vol: 16, No: 15 , published: 26 October 2015
Can far-IR action spectroscopy combined with BOMD simulations be conformation selective?
Jérôme Mahé, Sander Jaeqx, Anouk M. Rijs and Marie-Pierre Gaigeot
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Optical spectroscopy coupled with mass spectrometry methods
Anne Zehnacker
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Action spectroscopy of a protonated peptide in the ultraviolet range
Francis Canon, Aleksandar R. Milosavljević, Laurent Nahon and Alexandre Giuliani
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Gas-phase VUV photoionisation and photofragmentation of the silver deuteride nanocluster [Ag10D8L6]2+ (L = bis(diphenylphosphino)methane). A joint experimental and theoretical study
Steven Daly, Marjan Krstić, Alexandre Giuliani, Rodolphe Antoine, Laurent Nahon, Athanasios Zavras, George N. Khairallah, Vlasta Bonačić-Koutecký, Philippe Dugourd and Richard A. J. O'Hair
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Assignment of photoelectron spectra of silatranes: first ionization energies and the nature of the dative Si←N contact
Valery F. Sidorkin, Elena F. Belogolova and Evgeniya P. Doronina
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
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
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
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
Photodissociation dynamics of ethanethiol in clusters: complementary information from velocity map imaging, mass spectrometry and calculations
Pavla Svrčková, Andriy Pysanenko, Jozef Lengyel, Peter Rubovič, Jaroslav Kočišek, Viktoriya Poterya, Petr Slavíček and Michal Fárník
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Nonlinear effects in infrared action spectroscopy of silicon and vanadium oxide clusters: experiment and kinetic modeling
Florent Calvo, Yejun Li, Denis M. Kiawi, Joost M. Bakker, Pascal Parneix and Ewald Janssens
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Aluminum chain in Li2Al3H8 as suggested by photoelectron spectroscopy and ab initio calculations
Ivan A. Popov, Xinxing Zhang, Bryan W. Eichhorn, Alexander I. Boldyrev and Kit H. Bowen
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Target effects in negative-continuum-assisted dielectronic recombination
V. A. Yerokhin, A. N. Artemyev, V. M. Shabaev, Th. Stöhlker, A. Surzhykov, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 21 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
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
An infrared spectroscopic and theoretical study on (CH3)3N–H+–(H2O)n, n = 1–22: highly polarized hydrogen bond networks of hydrated clusters
Ryunosuke Shishido, Ying-Cheng Li, Chen-Wei Tsai, Dan Bing, Asuka Fujii and Jer-Lai Kuo
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Infrared multiple photon dissociation spectrum of protonated bis(2-methoxyethyl) ether obtained with a tunable CO2 laser
M. U. Ehsan, Y. Bozai, W. L. Pearson, III, N. A. Horenstein and J. R. Eyler
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Serine O-sulfation probed by IRMPD spectroscopy
Roberto Paciotti, Cecilia Coletti, Nazzareno Re, Debora Scuderi, Barbara Chiavarino, Simonetta Fornarini and Maria Elisa Crestoni
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
Structural characterization of gas-phase cysteine and cysteine methyl ester complexes with zinc and cadmium dications by infrared multiple photon dissociation spectroscopy
Rebecca A. Coates, Christopher P. McNary, Georgia C. Boles, Giel Berden, Jos Oomens and P. B. Armentrout
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
On the Ag+–cytosine interaction: the effect of microhydration probed by IR optical spectroscopy and density functional theory
Matias Berdakin, Vincent Steinmetz, Philippe Maitre and Gustavo A. Pino
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
UV photodissociation spectroscopy of cryogenically cooled gas phase host–guest complex ions of crown ethers
Yoshiya Inokuchi, Takeharu Haino, Ryo Sekiya, Fumiya Morishima, Claude Dedonder, Géraldine Féraud, Christophe Jouvet and Takayuki Ebata
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Six-fold-symmetry internal rotation in toluenes: the low barrier challenge of 2,6- and 3,5-difluorotoluene
K. P. Rajappan Nair, Michaela K. Jahn, Alberto Lesarri, Vadim V. Ilyushin and Jens-Uwe Grabow
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Combining gas phase electron capture and IRMPD action spectroscopy to probe the electronic structure of a metastable reduced organometallic complex containing a non-innocent ligand
Madanakrishna Katari, Eleonore Payen de la Garanderie, Edith Nicol, Vincent Steinmetz, Guillaume van der Rest, Duncan Carmichael and Gilles Frison
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Vibrational spectroscopy and theory of Fe2+(CH4)n (n = 1–3)
Muhammad Affawn Ashraf, Christopher W. Copeland, Abdulkadir Kocak, Alexandra R. McEnroe and Ricardo B. Metz
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Microhydrated dihydrogen phosphate clusters probed by gas phase vibrational spectroscopy and first principles calculations
Shou-Tian Sun, Ling Jiang, J.W. Liu, Nadja Heine, Tara I. Yacovitch, Torsten Wende, Knut R. Asmis, Daniel M. Neumark and Zhi-Feng Liu
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
IR spectrum of the protonated neurotransmitter 2-phenylethylamine: dispersion and anharmonicity of the NH3+–π interaction
Aude Bouchet, Markus Schütz, Barbara Chiavarino, Maria Elisa Crestoni, Simonetta Fornarini and Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Guanine tetrads: an IRMPD spectroscopy, energy resolved SORI-CID, and computational study of M(9-ethylguanine)4+ (M = Li, Na, K, Rb, Cs) in the gas phase
Mohammad Azargun and Travis D. Fridgen
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
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
Gas-phase structure and reactivity of the keto tautomer of the deoxyguanosine radical cation
Linda Feketeová, Bun Chan, George N. Khairallah, Vincent Steinmetz, Philippe Maître, Leo Radom and Richard A. J. O'Hair
Phys. Chem. Chem. Phys., Vol: 17, No: 39 , published: 21 October 2015
Photoisomerization action spectroscopy: flicking the protonated merocyanine–spiropyran switch in the gas phase
Peter B. Markworth, Brian D. Adamson, Neville J. A. Coughlan, Lars Goerigk and Evan J. Bieske
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
Observation of the 5p3/26p3/2 electric-dipole-forbidden transition in atomic rubidium using optical-optical double-resonance spectroscopy
F. Ponciano-Ojeda, S. Hernández-Gómez, O. López-Hernández, C. Mojica-Casique, R. Colín-Rodríguez, F. Ramírez-Martínez, J. Flores-Mijangos, D. Sahagún, R. Jáuregui, and J. Jiménez-Mier
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 20 October 2015
Asymptotic expressions for the hyperfine populations in the ground state of spin-1 condensates against a magnetic field
Y. M. Liu, Y. Z. He, and C. G. Bao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 20 October 2015
Ionization of H2+ molecular ions by twisted Bessel light
A. A. Peshkov, S. Fritzsche, and A. Surzhykov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 20 October 2015
Electron dynamics following photoionization: Decoherence due to the nuclear-wave-packet width
Morgane Vacher, Lee Steinberg, Andrew J. Jenkins, Michael J. Bearpark, and Michael A. Robb
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 20 October 2015
Dissociative ionization of H2+: Few-cycle effect in the joint electron-ion energy spectrum
V. Mosert and D. Bauer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 19 October 2015
Elucidating the Structure of Chiral Molecules by using Amplified Vibrational Circular Dichroism: From Theory to Experimental Realization
Sérgio R. Domingos, František Hartl, Wybren Jan Buma, Sander Woutersen
ChemPhysChem., Vol: 16, No: 16 , published: 16 October 2015
On the Resolution Limit of Femtosecond Stimulated Raman Spectroscopy: Modelling Fifth-Order Signals with Overlapping Pulses
Giuseppe Fumero, Giovanni Batignani, Konstantin E. Dorfman, Shaul Mukamel, Tullio Scopigno
ChemPhysChem., Vol: 16, No: 16 , published: 16 October 2015
Effect of electron-nuclei interaction on internuclear motions in slow ion-atom collisions
Inga Yu. Tolstikhina and Oleg I. Tolstikhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 16 October 2015
QED corrections to radiative recombination and radiative decay of heavy hydrogenlike ions
J. Holmberg, A. N. Artemyev, A. Surzhykov, V. A. Yerokhin, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 14 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
Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born–Oppenheimer breakdown corrections
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
Electron–vibration entanglement in the Born–Oppenheimer description of chemical reactions and spectroscopy
Laura K. McKemmish, Ross H. McKenzie, Noel S. Hush and Jeffrey R. Reimers
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Carbon and proton Overhauser DNP from MD simulations and ab initio calculations: TEMPOL in acetone
Sami Emre Küçük, Timur Biktagirov and Deniz Sezer
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
An intermediate band dye-sensitised solar cell using triplet–triplet annihilation
Catherine Simpson, Tracey M. Clarke, Rowan W. MacQueen, Yuen Yap Cheng, Adam J. Trevitt, Attila J. Mozer, Pawel Wagner, Timothy W. Schmidt and Andrew Nattestad
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches
Jan Vícha, Jan Novotný, Michal Straka, Michal Repisky, Kenneth Ruud, Stanislav Komorovsky and Radek Marek
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Chemical-shift tensors of heavy nuclei in network solids: a DFT/ZORA investigation of 207Pb chemical-shift tensors using the bond-valence method
Fahri Alkan and C. Dybowski
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
Photodissociation of aniline N–H bonds in clusters of different nature
Viktoriya Poterya, Dana Nachtigallová, Jozef Lengyel and Michal Fárník
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
The hydrogen bond strength of the phenol–phenolate anionic complex: a computational and photoelectron spectroscopic study
Allyson M. Buytendyk, Jacob D. Graham, Kim D. Collins, Kit H. Bowen, Chia-Hua Wu and Judy I. Wu
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
Developing accurate molecular mechanics force fields for conjugated molecular systems
Hainam Do and Alessandro Troisi
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Is there an intramolecular hydrogen bond in 2-halophenols? A theoretical and spectroscopic investigation
Michael H. Abraham, Raymond J. Abraham, Abil E. Aliev and Claudio F. Tormena
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
Microwave spectroscopic and theoretical investigations of the strongly hydrogen bonded hexafluoroisopropanol⋯water complex
A. Shahi and E. Arunan
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
Broadband two dimensional infrared spectroscopy of cyclic amide 2-Pyrrolidinone
Kiran Sankar Maiti
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Spectral properties and isomerisation path of retinal in C1C2 channelrhodopsin
I. Dokukina and O. Weingart
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
100 fs photo-isomerization with vibrational coherences but low quantum yield in Anabaena Sensory Rhodopsin
Alexandre Cheminal, Jérémie Léonard, So-Young Kim, Kwang-Hwan Jung, Hideki Kandori and Stefan Haacke
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Theoretical vibrational spectra of OH(H2O)2: the effect of quantum distribution and vibrational coupling
Yudai Ogata, Yukio Kawashima, Kaito Takahashi and Masanori Tachikawa
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Inverse internal conversion in C4 below the electron detachment threshold
Naoko Kono, Takeshi Furukawa, Hajime Tanuma, Jun Matsumoto, Haruo Shiromaru, Toshiyuki Azuma, Kaveh Najafian, Maria Susanne Pettersson, Bertil Dynefors and Klavs Hansen
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
π-Ring currents in doped coronenes with nitrogen and boron: diatropic–paratropic duality
Inmaculada García Cuesta, Barnaby Pownall, Stefano Pelloni and Alfredo M. Sánchez de Merás
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Rubidium D1 collision shift by heavy noble gases
N. P. Wells, T. U. Driskell, and J. C. Camparo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 13 October 2015
Double ionization of helium by proton impact: A generalized-Sturmian approach
M. J. Ambrosio, D. M. Mitnik, L. U. Ancarani, G. Gasaneo, and E. L. Gaggioli
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 13 October 2015
Correlation, Breit, and QED effects in spectra of Mg-like ions
E. A. Konovalova and M. G. Kozlov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 12 October 2015
Magic wavelength for the hydrogen 1S2S transition
Akio Kawasaki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 12 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
Extension of charge-state-distribution calculations for ion-solid collisions towards low velocities and many-electron ions
E. Lamour, P. D. Fainstein, M. Galassi, C. Prigent, C. A. Ramirez, R. D. Rivarola, J.-P. Rozet, M. Trassinelli, and D. Vernhet
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 12 October 2015
Polarization measurement of dielectronic recombination transitions in highly charged krypton ions
Chintan Shah, Holger Jörg, Sven Bernitt, Stepan Dobrodey, René Steinbrügge, Christian Beilmann, Pedro Amaro, Zhimin Hu, Sebastian Weber, Stephan Fritzsche, Andrey Surzhykov, José R. Crespo López-Urrutia, and Stanislav Tashenov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 07 October 2015
Polarization measurement of dielectronic recombination transitions in highly charged krypton ions
Chintan Shah, Holger Jörg, Sven Bernitt, Stepan Dobrodey, René Steinbrügge, Christian Beilmann, Pedro Amaro, Zhimin Hu, Sebastian Weber, Stephan Fritzsche, Andrey Surzhykov, José R. Crespo López-Urrutia, and Stanislav Tashenov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 07 October 2015
Vibrational and coherence dynamics of molecules
Zhedong Zhang and Jin Wang
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
ABCluster: the artificial bee colony algorithm for cluster global optimization
Jun Zhang and Michael Dolg Jun Zhang and Michael Dolg
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
Smooth heuristic optimization on a complex chemical subspace
Jennifer M. Elward and B. Christopher Rinderspacher
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
Singlet lifetime measurements in an all-proton chemically equivalent spin system by hyperpolarization and weak spin lock transfers
Y. Zhang, K. Basu, J. W. Canary and A. Jerschow
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 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
Hydrogen bonding in the ethanol–water dimer
Ian A. Finneran, P. Brandon Carroll, Marco A. Allodi and Geoffrey A. Blake
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
Weak intramolecular and intermolecular hydrogen bonding of benzyl alcohol, 2-phenylethanol and 2-phenylethylamine in the adsorption on graphitized thermal carbon black
V. V. Varfolomeeva and A. V. Terentev
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
Dynamical adiabatic theory of atomic collisions: Charge exchange in collisions of He2+ with H(1s)
T. P. Grozdanov and E. A. Solov'ev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 07 October 2015
Switching properties of Li–benzene complexes in a uniform electric field: a case where a “small” change makes a big difference
Nina Sadlej-Sosnowska
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
Complexation dynamics of CH3SCN and Li+ in acetonitrile studied by two-dimensional infrared spectroscopy
YoungAh Kwon and Sungnam Park
Phys. Chem. Chem. Phys., Vol: 17, No: 37 , published: 07 October 2015
Demonstration of open-quantum-system optimal control in dynamic nuclear polarization
S. Sheldon and D. G. Cory
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 06 October 2015
Understanding J-Modulation during Spatial Encoding for Sensitivity-Optimized Ultrafast NMR Spectroscopy
Boris Gouilleux, Laetitia Rouger, Benoît Charrier, Ilya Kuprov, Serge Akoka, Jean-Nicolas Dumez, Patrick Giraudeau
ChemPhysChem., Vol: 16, No: 14 , published: 05 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
Competition between Halogen Bonding and π-Hole Interactions Involving Various Donors: The Role of Dispersion Effects
Antonio Bauzá, Antonio Frontera
ChemPhysChem., Vol: 16, No: 14 , published: 05 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
Актуальные вопросы квантовой химии многоэлектронных систем
Н. Д. Чувылкин, Е. А. Смоленский
Изв. РАН. Сер. хим., Vol: 2015, No: 10 , published: 01 October 2015
Исследования сверхтонкой и изотопической структур в оптических спектрах кристаллов с редкоземельными ионам
M. N. Popova
Оптика и спектроскопия, Vol: 119, No: 4 , published: 01 October 2015
Измерение поляризуемостей уровней 5D рубидия в магнитооптической ловушке
Снигирев С.А., Головизин А.А., Пятченков С.В., Трегубов Д.О., Акимов А.В., Колачевский Н.Н., Сорокин В.Н.
Оптика и спектроскопия, Vol: 119, No: 4 , published: 01 October 2015
О противоречивости экспериментальных и неэмпирических данных о временах жизни электронно-колебательно-вращательных состояний молекул Н2, HD и D2
Асташкевич С.А., Лавров Б.П.
Оптика и спектроскопия, Vol: 119, No: 4 , published: 01 October 2015
Orbital-resolved strong-field single ionization of acetylene
Qinying Ji, Sen Cui, Xinyuan You, Xiaochun Gong, Qiying Song, Kang Lin, Haifeng Pan, Jingxin Ding, Heping Zeng, Feng He, and Jian Wu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 4 , published: 01 October 2015
Substituent Electron Push–Pull Interaction in Intermolecular Resonance-Assisted Hydrogen Bonds: Thymine/Adenine Base Pair and Their Complexes with Carboxylic Acids
Kiyohiko Tabayashi, Osamu Takahashi
Bull. Chem. Soc. Jpn., Vol: 88, No: 10 , published: 01 October 2015
Комплексные сечения спинового обмена при столкновении изотопов рубидия в основном состоянии
Картошкин В.А.
Оптика и спектроскопия, Vol: 119, No: 4 , published: 01 October 2015
Spectroscopic and structural properties of 2,2′-dipyridylamine and its palladium and platinum complexes
Ş. Yurdakul, M. T. Bilkana
Оптика и спектроскопия, Vol: 119, No: 4 , published: 01 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
Экспериментальное и квантово-химическое моделирование влияния pH среды на NO-донорную активность моноядерного нитрозильного комплекса железа [Fe(SC(NH2)2)2(NO)2]Сl·H2
Н. С. Емельянова, Н. Ю. Шматко, Н. А. Санина, П. Ю. Барзилович, С. М. Алдошин
Изв. РАН. Сер. хим., Vol: 2015, No: 10 , published: 01 October 2015
Соединения галлия(III), сурьмы(III), титана(IV) и кобальта(II) с аценафтенхинонимином
Д. А. Разборов, А. Н. Лукоянов, В. М. Макаров, М. А. Самсонов, И. Л. Федюшкин
Изв. РАН. Сер. хим., Vol: 2015, No: 10 , published: 01 October 2015
Электронная структура и рентгеновские фотоэлектронные спектры галогенидов TeIV с N,N´-дифенилгуанидином
А. А. Доценко, В. И. Вовна, В. В. Короченцев, И. С. Осьмушко, А. Г. Мирочник, Т. В. Седакова
Изв. РАН. Сер. хим., Vol: 2015, No: 10 , published: 01 October 2015
Строение биядерных ацетамидатных комплексов платины(III) в растворах по данным спектроскопии ЯМР 195Pt, 13C и 1H
Г. А. Киракосян, Т. Н. Федотова, Г. Н. Кузнецова
Изв. РАН. Сер. хим., Vol: 2015, No: 10 , published: 01 October 2015
One-pion-exchange effect in the energy spectrum of muonic hydrogen
Hai-Qing Zhou and Hou-Rong Pang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 30 September 2015
Double ionization of water molecules induced by swift protons
A. C. Tavares, H. Luna, W. Wolff, and E. C. Montenegro
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 29 September 2015
The first hyperpolarizability of nitrobenzene in benzene solutions: investigation of the effects of electron correlation within the sequential QM/MM approach
Marcelo Hidalgo Cardenuto and Benoît Champagne
Phys. Chem. Chem. Phys., Vol: 17, No: 36 , published: 28 September 2015
Hyperspherical calculations of ultralow-energy collisions in Coulomb three-body systems
Yueming Zhou, Shinichi Watanabe, Oleg I. Tolstikhin, and Toru Morishita
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , 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
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
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
Independent-electron analysis of the x-ray spectra from single-electron capture in Ne10+ collisions with He, Ne, and Ar atoms
Anthony C. K. Leung and Tom Kirchner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 23 September 2015
Atom-interferometric measurement of Stark level splittings
Limei Wang, Hao Zhang, Linjie Zhang, Georg Raithel, Jianming Zhao, and Suotang Jia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 21 September 2015
A theoretical study of potentially observable chirality-sensitive NMR effects in molecules
Piotr Garbacz, Janusz Cukras and Michał Jaszuński
Phys. Chem. Chem. Phys., Vol: 17, No: 35 , published: 21 September 2015
Tunneling ionization of vibrationally excited nitrogen molecules
Aleksei S. Kornev and Boris A. Zon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 21 September 2015
Long-range quantum gate via Rydberg states of atoms in a thermal microwave cavity
Lőrinc Sárkány, József Fortágh, and David Petrosyan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 21 September 2015
Correction: The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole
Michal Kolář, Jiří Hostaš and Pavel Hobza
Phys. Chem. Chem. Phys., Vol: 17, No: 35 , published: 21 September 2015
Subshell-selective x-ray studies of radiative recombination of U92+ ions with electrons for very low relative energies
D. Banaś et al.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 21 September 2015
Hydrogen-bonding interactions of uric acid complexes with water/melamine by mid-infrared spectroscopy
Hiroyuki Saigusa, Daisuke Nakamura and Shu-hei Urashima
Phys. Chem. Chem. Phys., Vol: 17, No: 35 , 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
Retinal shows its true colours: photoisomerization action spectra of mobility-selected isomers of the retinal protonated Schiff base
N. J. A. Coughlan, B. D. Adamson, L. Gamon, K. Catani and E. J. Bieske
Phys. Chem. Chem. Phys., Vol: 17, No: 35 , published: 21 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
Short-pulse photoassociation of 40K and 87Rb atoms in the vicinity of magnetically tuned Feshbach resonances
Xue-Jin Hu, Jing-Lun Li, Ting Xie, Yong-Chang Han, and Shu-Lin Cong
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 15 September 2015
Multiple Auger decay of the neon 1s-core-hole state studied by multielectron coincidence spectroscopy
Y. Hikosaka, T. Kaneyasu, P. Lablanquie, F. Penent, E. Shigemasa, and K. Ito
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , 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
Rotational spectroscopy of methyl benzoylformate and methyl mandelate: structure and internal dynamics of a model reactant and product of enantioselective reduction
Elijah G. Schnitzler, Mohammad Reza Poopari, Yunjie Xu and Wolfgang Jäger
Phys. Chem. Chem. Phys., Vol: 17, No: 34 , published: 14 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
Spectroscopic Observation of the Hydroxy Position in Butanol Hydrates and Its Effect on Hydrate Stability
Yeobum Youn, Minjun Cha, Huen Lee
ChemPhysChem., Vol: 16, No: 13 , published: 14 September 2015
The Raman optical activity of β-D-xylose: where experiment and computation meet
François Zielinski, Shaun T. Mutter, Christian Johannessen, Ewan W. Blanch and Paul L. A. Popelier
Phys. Chem. Chem. Phys., Vol: 17, No: 34 , published: 14 September 2015
Evidence for the existence of Li2S2 clusters in lithium–sulfur batteries: ab initio Raman spectroscopy simulation
Pouya Partovi-Azar, Thomas D. Kühne and Payam Kaghazchi
Phys. Chem. Chem. Phys., Vol: 17, No: 34 , published: 14 September 2015
Hydrogen-bonded ring closing and opening of protonated methanol clusters H+(CH3OH)n (n = 4–8) with the inert gas tagging
Ying-Cheng Li, Toru Hamashima, Ryoko Yamazaki, Tomohiro Kobayashi, Yuta Suzuki, Kenta Mizuse, Asuka Fujii and Jer-Lai Kuo
Phys. Chem. Chem. Phys., Vol: 17, No: 34 , published: 14 September 2015
Frequency-dependent force fields for QMMM calculations
Ignat Harczuk, Olav Vahtras and Hans Ågren
Phys. Chem. Chem. Phys., Vol: 17, No: 12 , published: 10 September 2015
Characterization of molecular channel in photodissociation of SOCl2 at 248 nm: Cl2 probing by cavity ring-down absorption spectroscopy
Bo-Jung Chen, Po-Yu Tsai, Ting-Kang Huang, Zhu-Hong Xia, King-Chuen Lin, Chuei-Jhih Chiou, Bing-Jian Sun and A. H. H. Chang
Phys. Chem. Chem. Phys., Vol: 17, No: 12 , published: 10 September 2015
Matrix site effects on vibrational frequencies of HXeCCH, HXeBr, and HXeI: a hybrid quantum-classical simulation
Keisuke Niimi, Tetsuya Taketsugu and Akira Nakayama
Phys. Chem. Chem. Phys., Vol: 17, No: 12 , published: 10 September 2015
Scaling law of nonsequential double ionization
Shansi Dong, Zilong Zhang, Lihua Bai, and Jingtao Zhang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 09 September 2015
Polarization control of absorption of virtual dressed states in helium
Maurizio Reduzzi, Johan Hummert, Antoine Dubrouil, Francesca Calegari, Mauro Nisoli, Fabio Frassetto, Luca Poletto, Shaohao Chen, Mengxi Wu, Mette B. Gaarde, Kenneth Schafer, and Giuseppe Sansone
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 08 September 2015
Composite pulses for ultrabroad-band and ultranarrow-band excitation
B. T. Torosov, E. S. Kyoseva, and N. V. Vitanov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 08 September 2015
Pulsed excitation of Rydberg-atom-pair states in an ultracold Cs gas
Heiner Saßmannshausen, Frédéric Merkt, and Johannes Deiglmayr
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 08 September 2015
Observation of a sequential process in charge-asymmetric dissociation of q=q=q+CO2 (q=4,5) upon the impact of highly charged ions
Arnab Khan, Lokesh C. Tribedi, and Deepankar Misra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 08 September 2015
Attosecond time-resolved streaked photoemission from Mg-covered W(110) surfaces
Qing Liao and Uwe Thumm
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 08 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
Image molecular dipoles in surface enhanced Raman scattering
Cristian Mihail Teodorescu
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Waveguide-coupled directional Raman radiation for surface analysis
Chen Chen, Jin-Yang Li, Li Wang, Dan-Feng Lu and Zhi-Mei Qi
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Enhancement and extinction effects in surface-enhanced stimulated Raman spectroscopy
B. X. K. Chng, T. van Dijk, R. Bhargava and P. S. Carney
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Wavelength resolved specific optical rotations and homochiral equilibria
P. L. Polavarapu and C. L. Covington
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Surface-enhanced spectroscopies
Rudolf Holze and Sebastian Schlücker
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Critical assessment of enhancement factor measurements in surface-enhanced Raman scattering on different substrates
Daniel C. Rodrigues, Michele L. de Souza, Klester S. Souza, Diego P. dos Santos, Gustavo F. S. Andrade and Marcia L. A. Temperini
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Hybrid nanostructures for SERS: materials development and chemical detection
Sara Fateixa, Helena I. S. Nogueira and Tito Trindade
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Collisional excitation of CH(X2Π) by He: new ab initio potential energy surfaces and scattering calculations
Sarantos Marinakis, Indigo Lily Dean, Jacek Kłos and François Lique
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Surface enhanced Raman scattering of a single molecular junction
Ryuji Matsushita and Manabu Kiguchi
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Subpicosecond surface dynamics in genomic DNA from in vitro-grown plant species: a SERS assessment
Cristina M. Muntean, Ioan Bratu, Nicolae Leopold, Cristian Morari, Luiza Buimaga-Iarinca and Monica A. P. Purcaru
Phys. Chem. Chem. Phys., Vol: 17, No: 33 , published: 07 September 2015
Quantum optimal control within the rotating-wave approximation
Maximilian Keck, Matthias M. Müller, Tommaso Calarco, and Simone Montangero
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 02 September 2015
Three-electron atoms and ions in a magnetic field
J. A. Salas, I. Pelaschier, and K. Varga
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 02 September 2015
Electron-impact ionization-excitation of the neon valence shell studied by high-resolution electron-momentum spectroscopy
J. M. Li, Z. H. Luo, X. L. Chen, J. K. Deng, and C. G. Ning
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 3 , published: 02 September 2015
Giant dipole oscillations and ionization of heavy atoms by intense electromagnetic fields
M. APOSTOL
Rom. Rep. Phys., Vol: 67, No: 3 , published: 01 September 2015
Исследование уширения линий H2O с помощью оптико-акустического лазерного спектрометра в области 12411-12421 см -1
Сердюков В.И., Синица Л.Н., Дударёнок А.С., Лаврентьева Н.Н., Щербаков А.П.
Изв. вузов. Физ., Vol: 58, No: 9 , published: 01 September 2015
Радиационные переходы в квазимолекулах
Девдариани А.З.
Оптика и спектроскопия, Vol: 119, No: 3 , published: 01 September 2015
Исследование структуры полосы поглощения v[1](HF) комплекса CH3CN...HF
Громова Е.И., Глазачев Е.В., Булычев В.П., Кошеварников А.М., Тохадзе К.Г.
Оптика и спектроскопия, Vol: 119, No: 3 , published: 01 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
Синтез и физико-химические свойства [(бутокси)(стеаратацилокси)ти-танокси]боранов
Кузьменко Н.Я., Кузьменко С.Н., Скринник О.В., Марченко Д.М., Коломиец О.О.
Изв. вузов. Химия и хим. технол., Vol: 58, No: 9 , published: 01 September 2015
Theoretical (DFT) and experimental (FT-IR, FT-Raman, FT-NMR) investigations on 7-Acetoxy-4-(bromomethyl)coumarin
Erdogdu Y., Saglam S., Dereli O.
Оптика и спектроскопия, Vol: 119, No: 3 , published: 01 September 2015
Vibrational spectroscopic studies of L-Alaninium oxalate
Balamurugan N., Charanya C., Sampathkrishnan S.
Оптика и спектроскопия, Vol: 119, No: 3 , published: 01 September 2015
Does Hooke's law work in helical nanosprings?
Sudong Ben, Junhua Zhao, Timon Rabczuk
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
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
Detailed investigation of low-energy positronium-hydrogen scattering
Denton Woods, S. J. Ward, and P. Van Reeth
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 28 August 2015
The properties of substituted 3D-aromatic neutral carboranes: the potential for σ-hole bonding
Rabindranath Lo, Jindřich Fanfrlík, Martin Lepšík, Pavel Hobza
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
Strength order and nature of the π-hole bond of cyanuric chloride and 1,3,5-triazine with halide
Hui Wang, Chen Li, Weizhou Wang, Wei Jun Jin
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
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
Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues
Tanmay Chatterjee, Mrinal Mandal, Venkatesh Gude, Partha Pratim Bag, Prasun K. Mandal
Phys. Chem. Chem. Phys., Vol: 17, No: 32 , published: 28 August 2015
Empirically constructed dynamic electric dipole polarizability function of magnesium and its applications
James F. Babb
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 27 August 2015
Observation of an unexpected negative isotope shift in 229Th+ and its theoretical explanation
M. V. Okhapkin, D. M. Meier, E. Peik, M. S. Safronova, M. G. Kozlov, and S. G. Porsev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 25 August 2015
Three-dimensional effects in resonant charge transfer between atomic particles and nanosystems
I. K. Gainullin and M. A. Sonkin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 25 August 2015
Schwinger-variational-principle theory of collisions in the presence of multiple potentials
F. Robicheaux, P. Giannakeas, and Chris H. Greene
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 25 August 2015
Semidefinite programming formulation of linear-scaling electronic structure theories
Srikant Veeraraghavan and David A. Mazziotti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 24 August 2015
Extreme ultraviolet and visible spectroscopy of promethiumlike heavy ions
Yusuke Kobayashi, Kai Kubota, Kazuki Omote, Akihiro Komatsu, Junpei Sakoda, Maki Minoshima, Daiji Kato, Jiguang Li, Hiroyuki A. Sakaue, Izumi Murakami, and Nobuyuki Nakamura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 24 August 2015
Optical Feshbach resonances: Field-dressed theory and comparison with experiments
T. L. Nicholson, S. Blatt, B. J. Bloom, J. R. Williams, J. W. Thomsen, J. Ye, and Paul S. Julienne
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 24 August 2015
Predominant Information Quality Scheme for the Essential Amino Acids: An Information-Theoretical Analysis
Rodolfo O. Esquivel, Moyocoyani Molina-Espíritu, Sheila López-Rosa, Catalina Soriano-Correa, Carolina Barrientos-Salcedo, rof. Miroslav Kohout, Jesús S. Dehesa
ChemPhysChem., Vol: 16, No: 12 , published: 24 August 2015
Antiproton stopping in atomic targets
J. J. Bailey, A. S. Kadyrov, I. B. Abdurakhmanov, D. V. Fursa, and I. Bray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 24 August 2015
Production of ultracold hydrogen and deuterium via Doppler-cooled Feshbach molecules
Ian C. Lane
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 24 August 2015
Magnetically tunable Feshbach resonances in Li+Er
Maykel L. González-Martínez and Piotr S. Żuchowski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 24 August 2015
Comparative Study of Halogen- and Hydrogen-Bond Interactions between Benzene Derivatives and Dimethyl Sulfoxide
Yan-Zhen Zheng, Geng Deng, Yu Zhou, Hai-Yuan Sun, Zhi-Wu Yu
ChemPhysChem., Vol: 16, No: 12 , published: 24 August 2015
Structural Distortion of the Epoxy Groups in Norbornanes: A Rotational Study of exo-2,3-Epoxynorbornane
Patricia Écija, Iciar Uriarte, Francisco J. Basterretxea, Judith Millán, Alberto Lesarri, José A. Fernández, Emilio J. Cocinero
ChemPhysChem., Vol: 16, No: 12 , published: 24 August 2015
The σ-Hole Interaction Between Sulfur Hexafluoride and Ammonia Characterised by Broadband Rotational Spectroscopy
M. Bittner, Daniel P. Zaleski, Susanna L. Stephens, Nicholas R. Walker, Anthony C. Legon
ChemPhysChem., Vol: 16, No: 12 , published: 24 August 2015
Vibrational Dephasing in Ionic Liquids as a Signature of Hydrogen Bonding
Susana Chatzipapadopoulos, Tobias Zentel, Ralf Ludwig, Matthias Lütgens, Stefan Lochbrunner, Oliver Kühn
ChemPhysChem., Vol: 16, No: 12 , published: 24 August 2015
Exploring electron pair behaviour in chemical bonds using the extracule density
Adam J. Proud, Dalton E. C. K. Mackenzie and Jason K. Pearson
Phys. Chem. Chem. Phys., Vol: 17, No: 31 , published: 21 August 2015
Important issues facing model-based approaches to tunneling transport in molecular junctions
Ioan Bâldea
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
Triple decker sandwiches and related compounds of the first row transition metals with cyclopentadienyl and hexafluorobenzene rings: remarkable effects of fluorine substitution
Shida Gong, Qiong Luo, Xiangfei Feng, Qian-shu Li, Yaoming Xie, R. Bruce King and Henry F. Schaefer III
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
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
How far can a single hydrogen bond tune the spectral properties of the GFP chromophore?
Hjalte V. Kiefer, Elie Lattouf, Natascha W. Persen, Anastasia V. Bochenkova and Lars H. Andersen
Phys. Chem. Chem. Phys., Vol: 17, No: 31 , published: 21 August 2015
Energy landscapes of a hairpin peptide including NMR chemical shift restraints
Joanne M. Carr, Chris S. Whittleston, David C. Wade and David J. Wales
Phys. Chem. Chem. Phys., Vol: 17, No: 31 , published: 21 August 2015
Tunable dipole induced hydrogen bonds between a hydrogen molecule and alkali halides
Haiyan Zhu, Bolong Huang, Jianfu Li, Zhenyi Jiang, Bo Wang, Zhigang Wang and Rui-Qin Zhang
Phys. Chem. Chem. Phys., Vol: 17, No: 31 , published: 21 August 2015
Measurement of the 3s1/2−3p3/2 resonance line of sodiumlike Eu52+
E. Träbert, P. Beiersdorfer, N. Hell, and G. V. Brown
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 20 August 2015
QED derivation of the Stark shift and line broadening induced by blackbody radiation
D. Solovyev, L. Labzowsky, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 20 August 2015
QED derivation of the Stark shift and line broadening induced by blackbody radiation
D. Solovyev, L. Labzowsky, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 20 August 2015
Theoretical and experimental determination of L-shell decay rates, line widths, and fluorescence yields in Ge
M. Guerra, J. M. Sampaio, T. I. Madeira, F. Parente, P. Indelicato, J. P. Marques, J. P. Santos, J. Hoszowska, J.-Cl. Dousse, L. Loperetti, F. Zeeshan, M. Müller, R. Unterumsberger, and B. Beckhoff
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 19 August 2015
Double-resonance-ionization mapping of the hyperfine structure of the stable Cu isotopes using pulsed narrowband Ti:sapphire lasers
R. P. de Groote, T. Kron, A. Hakimi, G. Neyens, and K. Wendt
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 18 August 2015
Calculation of electron-impact ionization of Mg and Al+
I. Bray, K. McNamara, and D. V. Fursa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 17 August 2015
Boronyl as a terminal ligand in boron oxide clusters: hexagonal ring C2v B6O4 and ethylene-like D2h B6O4−/2−
Wei Wang, Qiang Chen, Ying-Jin Wang, Hui Bai, Ting-Ting Gao, Hai-Ru Li, Hua-Jin Zhai and Si-Dian Li
Phys. Chem. Chem. Phys., Vol: 17, No: 30 , published: 14 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
Vibrational spectroscopy of Methyl benzoate
Kiran Sankar Maiti
Phys. Chem. Chem. Phys., Vol: 17, No: 30 , published: 14 August 2015
Probing keto–enol tautomerism using photoelectron spectroscopy
Nathalie Capron, Bastien Casier, Nicolas Sisourat, Maria Novella Piancastelli, Marc Simon and Stéphane Carniato
Phys. Chem. Chem. Phys., Vol: 17, No: 30 , published: 14 August 2015
Theoretical study on catalyzed selective photoreduction mechanism for 4-bromobenzaldehyde in two different solvents
Xiao Huang, Liang Peng, Feng Long Gu and Ruiqin Zhang
Phys. Chem. Chem. Phys., Vol: 17, No: 30 , published: 14 August 2015
Fine-structure mixing in Rb-Xe elastic collisions and isoclinic point asymmetry
N. P. Wells, T. U. Driskell, and J. C. Camparo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 13 August 2015
s-wave scattering lengths of the strongly dipolar bosons Dy162 and Dy164
Yijun Tang, Andrew Sykes, Nathaniel Q. Burdick, John L. Bohn, and Benjamin L. Lev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 10 August 2015
Double ionization in R-matrix theory using a two-electron outer region
Jack Wragg, J. S. Parker, and H. W. van der Hart
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 10 August 2015
Photoionization of endohedral atoms: Molecular and interchannel-coupling effects
A. Ponzi, P. Decleva, and S. T. Manson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 10 August 2015
The rotational barrier of ethane and some of its hexasubstituted derivatives in terms of the forces acting on the electron distribution
Fernando Cortés-Guzmán, Gabriel Cuevas, Ángel Martín Pendás and Jesús Hernández-Trujillo
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
A computational protocol for the study of circularly polarized phosphorescence and circular dichroism in spin-forbidden absorption
Maciej Kamiński, Janusz Cukras, Magdalena Pecul, Antonio Rizzo and Sonia Coriani
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP
Maarten T. P. Beerepoot, Daniel H. Friese, Nanna H. List, Jacob Kongsted and Kenneth Ruud
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
Effects of stereoelectronic interactions on the relativistic spin–orbit and paramagnetic components of the 13C NMR shielding tensors of dihaloethenes
Renan V. Viesser, Lucas C. Ducati, Jochen Autschbach and Cláudio F. Tormena
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
Structural, electronic and energetic consequences of epigenetic cytosine modifications
P. Cysewski and R. Oliński
Phys. Chem. Chem. Phys., Vol: 17, No: 29 , published: 07 August 2015
Hydrogen-bond acidity of ionic liquids: an extended scale
Kiki A. Kurnia, Filipa Lima, Ana Filipa M. Cláudio, João A. P. Coutinho and Mara G. Freire
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
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
Evidence for quantum effects in the predissociation of methylamine isotopologues
Michael Epshtein, Alexander Portnov and Ilana Bar
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
Temperature dependent structural variations of OH(H2O)n, n = 4–7: effects on vibrational and photoelectron spectra
Ren-Jie Lin, Quoc Chinh Nguyen, Yew-Soon Ong, Kaito Takahashi and Jer-Lai Kuo
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
Li7(BH)5+: a new thermodynamically favored star-shaped molecule
Juan J. Torres-Vega, Alejandro Vásquez-Espinal, Maria J. Beltran, Lina Ruiz, Rafael Islas and William Tiznado
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
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
Electric dipole moment of 225Ra due to P- and T-violating weak interactions
Yashpal Singh and B. K. Sahoo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 06 August 2015
Light-induced conical intersection effect enhancing the localization of molecules in optical lattices
Mariusz Pawlak and Nimrod Moiseyev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 06 August 2015
Low-energy dissociative electron attachment to CF2
S. T. Chourou, Å. Larson, and A. E. Orel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 06 August 2015
K-shell photoionization of O+ and O2+ ions: Experiment and theory
J. M. Bizau, D. Cubaynes, S. Guilbaud, M. M. Al Shorman, M. F. Gharaibeh, I. Q. Ababneh, C. Blancard, and B. M. McLaughlin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 2 , published: 03 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
Resonance Character of Copper/Silver/Gold Bonding in Small Molecule⋅⋅⋅M[BOND]X (X=F, Cl, Br, CH3, CF3) Complexes
Guiqiu Zhang, Huanjing Yue, Frank Weinhold, Hui Wang, Hong Li and Dezhan Chen
ChemPhysChem., Vol: 16, No: 11 , published: 03 August 2015
Процессы захвата альфа-частицами K-электронов при альфа-распаде сверхтяжелых ядер. I. Перезарядка при столкновениях альфа-частиц с ионами He+(1S)
Никулин В.К., Гущина Н.А.
Оптика и спектроскопия, Vol: 119, No: 2 , published: 01 August 2015
Зарядовые, фотонные и электронные спектры при каскадном распаде состояний атома неона, возникающие при фотоионизации вблизи K-порога
Чайников А.П., Кочур А.Г., Явна В.А.
Оптика и спектроскопия, Vol: 119, No: 2 , published: 01 August 2015
Потенциал и матричные элементы гамильтониана внутреннего вращения в молекулах в базисе функций Матье
Туровцев В.В., Орлов Ю.Д., Цирулев А.Н.
Оптика и спектроскопия, Vol: 119, No: 2 , published: 01 August 2015
Относительные амплитуды внешних сателлитов мультиплетов супертонкой структуры спектра насыщения поглощения SiF4
Крылов И.Р., Акулинин Д.А., Чубыкин А.Д.
Оптика и спектроскопия, Vol: 119, No: 2 , published: 01 August 2015
Траекторный анализ вращательной динамики молекул
Петров С.В., Локштанов С.Е.
Ж. эксперим. и теор. физ., Vol: 148, No: 2 , published: 01 August 2015
Исследование расщепления D2-линии Rb в сильных поперечных магнитных полях с помощью линейной бездопплеровской спектроскопии в наноячейке
Саргсян А., Ахумян Г., Тоноян А., Петров П.А., Вартанян Т.А.
Оптика и спектроскопия, Vol: 119, No: 2 , published: 01 August 2015
Feasibility of a feedback control of atomic self-organization in an optical cavity
Ivanov D.A., Ivanova T.Yu.
Ж. эксперим. и теор. физ., Vol: 148, No: 2 , 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
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
Aggregated Excimer Formation through Hydrogen Bonding in a Pyrene–Urea Derivative
Hisato Matsumoto, Yoshinobu Nishimura, Tatsuo Arai
Bull. Chem. Soc. Jpn., Vol: 88, No: 8 , published: 01 August 2015
Парциальные сечения ионизации атома рубидия электронным ударом
Роман, В.И., Купляускиене, А.В., Боровик, А.А.
Доп. Нац. АН Украïни, Vol: 2015, No: 8 , published: 01 August 2015
Средняя энергия ионизации молекулы воды электронным ударом
Ковтун Ю.В.
Ж. техн. физ., Vol: 85, No: 8 , published: 01 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
Особенности химического поведения 3,4,5-трис(2-тиенил)-1,2-дифосфациклопентадиенида натрия
Л. Р. Кочеткова, И. А. Безкишко, В. А. Милюков, Д. Р. Исламов, Д. Б. Криволапов, О. Н. Катаева, О. Г. Синяшин
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
Лиганд-направленная электрохимическая функционализация связей C(sp2)—H в присутствии соединений палладия и никеля
Ю. Б. Дудкина, Т. В. Грязнова, О. Г. Синяшин, Ю. Г. Будникова
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
Самосборка и квантово-химический дизайн макротрициклических и макротетрациклических металлохелатов 3d-элементов, возникающих в желатин-иммобилизованной матрице
О. В. Михайлов, М. А. Казымова, Д. В. Чачков
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
Синтез, строение и стереохимическая нежесткость бис[(2,2-диметил-4-оксо-2H-бензо[e][1,3]оксазин-3(4H)-ил)метил]дихлорсилана и -германа
Вад. В. Негребецкий, Е. П. Крамарова, Д. Е. Архипов, А. А. Корлюков, А. Г. Шипов, Ю. И. Бауков
Изв. РАН. Сер. хим., Vol: 2015, No: 8 , published: 01 August 2015
Комплексы урана(VI) с основаниями Шиффа — новые гетерогенные катализаторы перегалогенирования алкилгалогенидов элементарным галогеном
Х. Наейми, З. С. Назифи
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
Реакционная способность предшественников фталоцианинов
А. В. Любимцев, Н. В. Жеглова, Е. Н. Смирнова, С. А. Сырбу
Изв. РАН. Сер. хим., Vol: 2015, No: 8 , published: 01 August 2015
Комплексы гамма-циклодекстрина с гистидином. Теоретическое исследование строения и энергетики
Ю. А. Борисов, С. С. Киселев
Докл. РАН, Vol: 463, No: 4 , published: 01 August 2015
Квантово-химическое изучение аддуктов дикетонатов марганца(II) с диимином
А. Г. Стариков, А. А. Старикова, В. И. Минкин
Докл. РАН, Vol: 463, No: 5 , published: 01 August 2015
Synthesis and Characterization of a Thiolato-Bridged AuI2CoIII Complex with Mixed Triphenylphosphine and D-Penicillamine
Yuji Hashimoto, Nobuto Yoshinari, Naoto Kuwamura, Takumi Konno
Bull. Chem. Soc. Jpn., Vol: 88, 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
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
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
Intermolecular carbon–carbon, nitrogen–nitrogen and oxygen–oxygen non-covalent bonding in dipolar molecules
Karunakaran Remya and Cherumuttathu H. Suresh
Phys. Chem. Chem. Phys., Vol: 17, No: 28 , published: 28 July 2015
Structures, stability and hydrogen bonding in inositol conformers
Nazia Siddiqui, Vijay Singh, Milind M. Deshmukh and Ramanathan Gurunath
Phys. Chem. Chem. Phys., Vol: 17, No: 28 , published: 28 July 2015
Chiral recognition and atropisomerism in the sevoflurane dimer
Nathan A. Seifert, Cristóbal Pérez, Justin L. Neill, Brooks H. Pate, Montserrat Vallejo-López, Alberto Lesarri, Emilio J. Cocinero and Fernando Castaño
Phys. Chem. Chem. Phys., Vol: 17, No: 28 , published: 28 July 2015
Like-charge ion pairs of hydronium and hydroxide in aqueous solution?
Manik Kumer Ghosh, Tae Hoon Choi and Cheol Ho Choi
Phys. Chem. Chem. Phys., Vol: 17, No: 25 , published: 25 July 2015
The nature of NO-bonding in N-oxide group
Marlena Łukomska, Agnieszka J. Rybarczyk-Pirek, Mirosław Jabłoński and Marcin Palusiak
Phys. Chem. Chem. Phys., Vol: 17, No: 25 , published: 25 July 2015
Comparing the electronic relaxation dynamics of aniline and d7-aniline following excitation at 272–238 nm
Oliver M. Kirkby, Matthieu Sala, Garikoitz Balerdi, Rebeca de Nalda, Luis Bañares, Stéphane Guérin and Helen H. Fielding
Phys. Chem. Chem. Phys., Vol: 17, No: 25 , published: 25 July 2015
CASPT2 study of inverse sandwich-type dinuclear 3d transition metal complexes of ethylene and dinitrogen molecules: similarities and differences in geometry, electronic structure, and spin multiplicity
Masayuki Nakagaki and Shigeyoshi Sakaki
Phys. Chem. Chem. Phys., Vol: 17, No: 25 , published: 25 July 2015
Remarkable conformational flexibility of aqueous 18-crown-6 and its strontium(II) complex – ab initio molecular dynamics simulations
Lorenz R. Canaval, Saprizal Hadisaputra and Thomas S. Hofer
Phys. Chem. Chem. Phys., Vol: 17, No: 25 , published: 25 July 2015
Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states
Bruno Senjean, Stefan Knecht, Hans Jørgen Aa. Jensen, and Emmanuel Fromager
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 24 July 2015
Dynamic dipole polarizabilities for the low-lying triplet states of helium
Yong-Hui Zhang, Li-Yan Tang, Xian-Zhou Zhang, and Ting-Yun Shi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 24 July 2015
Polarizabilities of the 87Sr clock transition
C. Shi, J.-L. Robyr, U. Eismann, M. Zawada, L. Lorini, R. Le Targat, and J. Lodewyck
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 24 July 2015
All-optical measurement of Rydberg-state lifetimes
Markus Mack, Jens Grimmel, Florian Karlewski, Lőrinc Sárkány, Helge Hattermann, and József Fortágh
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 24 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
Ionization energies along beryllium isoelectronic sequence
A. V. Malyshev, A. V. Volotka, D. A. Glazov, I. I. Tupitsyn, V. M. Shabaev, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 21 July 2015
Mn2@Si15: the smallest triple ring tubular silicon cluster
Hung Tan Pham, Thu-Thuy Phan, Nguyen Minh Tam, Long Van Duong, My Phuong Pham-Ho and Minh Tho Nguyen
Phys. Chem. Chem. Phys., Vol: 17, No: 27 , published: 21 July 2015
Multiphoton inner-shell ionization of the carbon atom
H. F. Rey and H. W. van der Hart
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , 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
Coordination-Resolved Spectrometrics of Local Bonding and Electronic Dynamics of Au Atomic Clusters, Solid Skins, and Oxidized Foils
Wang Yu, Maolin Bo, Yongli Huang, Yan Wang, Can Li and Chang Q. Sun
ChemPhysChem., Vol: 16, No: 10 , published: 20 July 2015
Erratum: Isotope shifts in francium isotopes Fr206213 and Fr221 [Phys. Rev. A 90, 052502 (2014)]
R. Collister, G. Gwinner, M. Tandecki, J. A. Behr, M. R. Pearson, J. Zhang, L. A. Orozco, S. Aubin, and E. Gomez
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 20 July 2015
Differential Distortion of Purine Substrates by Human and Plasmodium falciparum Hypoxanthine-Guanine Phosphoribosyltransferase to Catalyse the Formation of Mononucleotides
Vishakha Karnawat, Spriha Gogia, Hemalatha Balaram and Mrinalini Puranik
ChemPhysChem., Vol: 16, No: 10 , published: 20 July 2015
Scattering of twisted relativistic electrons by atoms
V. Serbo, I. P. Ivanov, S. Fritzsche, D. Seipt, and A. Surzhykov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 20 July 2015
Resonances with natural and unnatural parities in positron-sodium scattering
Muhammad Umair and Svante Jonsell
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 20 July 2015
Influence of the Synthetic Conditions on the Structural and Electrochemical Properties of Carbon Nano-Onions
Olena Mykhailiv, Andrzej Lapinski, Agustin Molina-Ontoria, Elzbieta Regulska, Luis Echegoyen, Alina T. Dubis and Marta E. Plonska-Brzezinska
ChemPhysChem., Vol: 16, No: 10 , published: 20 July 2015
Understanding the Aldo-Enediolate Tautomerism of Glycolaldehyde in Basic Aqueous Solutions
Luis Miguel Azofra, María Mar Quesada-Moreno, Ibon Alkorta, Juan Ramón Avilés-Moreno, José Elguero and Juan Jesús López-González
ChemPhysChem., Vol: 16, No: 10 , published: 20 July 2015
Computational Study of Proton Transfer in Tautomers of 3- and 5-Hydroxypyrazole Assisted by Water
Cristina Trujillo, Goar Sánchez-Sanz, Ibon Alkorta and José Elguero
ChemPhysChem., Vol: 16, No: 10 , published: 20 July 2015
Quantum electrodynamics mα6 and mα7lnα corrections to the fine splitting in Li and Be+
Mariusz Puchalski and Krzysztof Pachucki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 17 July 2015
Quantized nonadiabatic coupling terms of H3+
Alexander Alijah, Julien Fremont, and Vladimir G. Tyuterev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 16 July 2015
Photoionization and photofragmentation of multiply charged Lu3N@C80 ions
J. Hellhund, A. Borovik, Jr., K. Holste, S. Klumpp, M. Martins, S. Ricz, S. Schippers, and A. Müller
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 15 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
Discrete variable representation of the Smoluchowski equation using a sinc basis set
Andrea Piserchia and Vincenzo Barone
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
Adiabatic ionization energies of the overlapped A2A1 and B2E electronic states in CH3Cl+/CH3F+ measured with double imaging electron/ion coincidence
Xiaofeng Tang, Gustavo A. Garcia and Laurent Nahon Xiaofeng Tang, Gustavo A. Garcia and Laurent Nahon
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
Phase changes of the water hexamer and octamer in the gas phase and adsorbed on polycyclic aromatic hydrocarbons
Luiz Fernando L. Oliveira, Jérôme Cuny, Maxime Morinière, Léo Dontot, Aude Simon, Fernand Spiegelman and Mathias Rapacioli
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
The influence of hydrogen bonding on the dielectric constant and the piezoelectric energy harvesting performance of hydrated metal salt mediated PVDF films
Santanu Jana, Samiran Garain, Shrabanee Sen and Dipankar Mandal
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
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
Formation of Au and tetrapyridyl porphyrin complexes in superfluid helium
Cheng Feng, Elspeth Latimer, Daniel Spence, Aula M. A. A. Al Hindawi, Shem Bullen, Adrian Boatwright, Andrew M. Ellis and Shengfu Yang
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
Theoretical survey of the ligand tunability of poly(azolyl)borates
Dongmei Lu and Huarong Tang
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
Internal dynamics in the molecular complex of CF3CN and H2O
Wei Lin, Anan Wu, Xin Lu, Xiao Tang, Daniel A. Obenchain and Stewart E. Novick
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
Unusual hydroxyl migration in the fragmentation of β-alanine dication in the gas phase
Dariusz Grzegorz Piekarski, Rudy Delaunay, Sylvain Maclot, Lamri Adoui, Fernando Martín, Manuel Alcamí, Bernd A. Huber, Patrick Rousseau, Alicja Domaracka and Sergio Díaz-Tendero
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
Elucidating low-frequency vibrational dynamics in calcite and water with time-resolved third-harmonic generation spectroscopy
Liang Wang, Weimin Liu and Chong Fang
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
Tandem deprotonation/azide–tetrazole tautomerization of 4,6-diazido-N-nitro-1,3,5-triazin-2-amine in dimethylsulfoxide solutions: a theoretical study
S. V. Chapyshev and E. N. Ushakov
Phys. Chem. Chem. Phys., Vol: 17, No: 26 , published: 14 July 2015
Valence Auger decay following 3s photoionization in potassium
J. Palaudoux, S. Sheinerman, J. Soronen, S.-M. Huttula, M. Huttula, K. Jänkälä, L. Andric, K. Ito, P. Lablanquie, F. Penent, J.-M. Bizau, S. Guilbaud, and D. Cubaynes
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 10 July 2015
Fraunhofer-type diffraction patterns of matter-wave scattering of projectiles: Electron transfer in energetic ion-atom collisions
Hicham Agueny
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 10 July 2015
Coulomb-gauge calculation of the combined effect of correlation and QED for heliumlike highly charged ions
J. Holmberg, S. Salomonson, and I. Lindgren
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 09 July 2015
Ab initio estimations of the isotope shift for the first three elements of the K isoelectronic sequence
Sourav Roy and Sonjoy Majumder
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 08 July 2015
Decoupling electrons and nuclei without the Born-Oppenheimer approximation: The electron-nucleus mean-field configuration-interaction method
Patrick Cassam-Chenaï, Bingbing Suo, and Wenjian Liu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 06 July 2015
van der Waals coefficients for positronium interactions with atoms
A. R. Swann, J. A. Ludlow, and G. F. Gribakin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 06 July 2015
Relativistic configuration-interaction calculation of the 1s2s2 2S1/2    state of Li-like ions
L. Natarajan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 06 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
Spectra of W19+−W32+ observed in the EUV region between 15 and 55Å with an electron-beam ion trap
H. A. Sakaue, D. Kato, N. Yamamoto, N. Nakamura, and I. Murakami
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 06 July 2015
Electron-impact ionization of Xe24+ ions: Theory versus experiment
Pengfei Liu, Jiaolong Zeng, Alexander Borovik, Jr., Stefan Schippers, and Alfred Müller
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 06 July 2015
Ортогональность детерминантных функций в методе Хартри - Фока для высоковозбужденных электронных состояний
Глушков В.Н.
Оптика и спектроскопия, Vol: 119, No: 1 , published: 01 July 2015
Theoretical and Computational Study of a Complex System Consisting of Transition Metal Element(s): How to Understand and Predict Its Geometry, Bonding Nature, Molecular Property, and Reaction Behavior
Shigeyoshi Sakaki
Bull. Chem. Soc. Jpn., Vol: 88, No: 7 , published: 01 July 2015
Measurement of absolute frequencies and hyperfine structure constants of 4D5/2 and 4D3/2 levels of Rb87 and Rb85 using an optical frequency comb
Won-Kyu Lee and Han Seb Moon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 92, No: 1 , published: 01 July 2015
Строение и люминесцентные свойства комплексных соединений теллура (IV) с аммонийными основаниями
Седакова Т.В., Мирочник А.Г.
Оптика и спектроскопия, Vol: 119, No: 1 , published: 01 July 2015
Влияние изотопического замещения на параметры эффективного дипольного момента молекулы CO2
Карловец Е.В., Перевалов В.И.
Оптика и спектроскопия, Vol: 119, No: 1 , published: 01 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
Ионизация молекулы глицерина электронным ударом
Завилопуло А.Н., Шпеник О.Б., Маркуш П.П., Контрош Е.Э.
Ж. техн. физ., Vol: 85, No: 7 , published: 01 July 2015
Окислительное присоединение гексахлордисилана к двухкоординационному и формально двухвалентному атому фосфора
Корнев А.Н., Сущев В.В., Киреева В.В., Гальперин В.Е., Золотарева Н.В., Черкасов А.В., Абакумов Г.А.
Докл. РАН, Vol: 462, No: 5 , published: 01 July 2015
Комплексообразующие свойства 1-[5-(гидразидометилсульфинил)пентил]-3,5-диметилизоцианурата в отношении кобальта(II), никеля(II) и железа(III)
В. В. Неклюдов, Г. А. Боос, С. Г. Фаттахов, М. М. Шулаева, Г. А. Чмутова, Ю. И. Сальников
Изв. РАН. Сер. хим., Vol: 2015, No: 7 , published: 01 July 2015
Синтез и свойства обладающих противоопухолевой и антисептической активностью пленок поливинилпирролидона, содержащих нитрозильные комплексы железа — доноры монооксида азота (NO)
Н. Ю. Шматко, Н. А. Санина, Д. В. Анохин, А. А. Пирязев, Д. А. Иванов, А. В. Куликов, С. М. Алдошин
Изв. РАН. Сер. хим., Vol: 2015, No: 7 , published: 01 July 2015
Теоретическое изучение кинетики и механизма реакции изомеризации карбкатионов диметиладамантанов
Борисов Ю.А., Багрий Е.И.
Докл. РАН, Vol: 463, No: 1 , 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
Structural Isomerization and Cold Crystallization of Bis[1-(2-propyl)iminomethylnaphthalen-2-olato]nickel(II) by Thermal Analysis, X-ray Diffraction, and FT-IR
Katsunori Iwase, Isao Yoshikawa, Hirohiko Houjou, Yasuhisa Yamamura, Kazuya Saito
Bull. Chem. Soc. Jpn., Vol: 88, No: 7 , published: 01 July 2015
Anion emission from water molecules colliding with positive ions: Identification of binary and many-body processes
J.-Y. Chesnel, Z. Juhász, E. Lattouf, J. A. Tanis, B. A. Huber, E. Bene, S. T. S. Kovács, P. Herczku, A. Méry, J.-C. Poully, J. Rangama, and B. Sulik
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 29 June 2015
Geometry controls the stability of FeSi14
Vikas Chauhan, Marissa Baddick Abreu, Arthur C. Reber and Shiv N. Khanna
Phys. Chem. Chem. Phys., Vol: 17, No: 24 , published: 28 June 2015
Rayleigh light scattering properties of atmospheric molecular clusters consisting of sulfuric acid and bases
Jonas Elm, Patrick Norman and Kurt V. Mikkelsen
Phys. Chem. Chem. Phys., Vol: 17, No: 24 , published: 28 June 2015
Effects of electronic structure on the hydration of PbNO3+ and SrNO3+ ion pairs
Richard J. Cooper, Sven Heiles and Evan R. Williams
Phys. Chem. Chem. Phys., Vol: 17, No: 24 , published: 28 June 2015
The structure of chloromethyl thiocyanate, CH2ClSCN, in gas and crystalline phases
Y. Berrueta Martínez, L. S. Rodríguez Pirani, M. F. Erben, C. G. Reuter, Y. V. Vishnevskiy, H. G. Stammler, N. W. Mitzel and C. O. Della Védova
Phys. Chem. Chem. Phys., Vol: 17, No: 24 , published: 28 June 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
Structure determination of trans-cinnamaldehyde by broadband microwave spectroscopy
Sabrina Zinn, Thomas Betz, Chris Medcraft and Melanie Schnell
Phys. Chem. Chem. Phys., Vol: 17, No: 24 , published: 28 June 2015
Anion resonances and above-threshold dynamics of coenzyme Q0
James N. Bull, Christopher W. West and Jan R. R. Verlet
Phys. Chem. Chem. Phys., Vol: 17, No: 24 , published: 28 June 2015
Cation-assisted interactions between N-heterocycles and CO2
Huarong Tang, Dongmei Lu and Chao Wu
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
OH-stretch overtone of methanol: empirical assignment using a two temperature technique in a supersonic jet
Vít Svoboda, Veronika Horká-Zelenková, Jozef Rakovský, Petr Pracna and Ondrej Votava
Phys. Chem. Chem. Phys., Vol: 17, No: 24 , published: 28 June 2015
Lamb shift for states with j=1/2
V. Patkóš and J. Zamastil
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 25 June 2015
Ab initio interaction potentials and scattering lengths for ultracold mixtures of metastable helium and alkali-metal atoms
Dariusz Kędziera, Łukasz Mentel, Piotr S. Żuchowski, and Steven Knoop
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 25 June 2015
S-matrix calculations of energy levels of sodiumlike ions
J. Sapirstein and K. T. Cheng (鄭國錚)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 24 June 2015
Excitation cross sections in low-energy hydrogen-helium collisions
Andrey K. Belyaev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 23 June 2015
Quantum interference effects in saturated absorption spectroscopy of n=2 triplet-helium fine structure
A. Marsman, M. Horbatsch, and E. A. Hessels
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 22 June 2015
Quantum interference effects in saturated absorption spectroscopy of n=2 triplet-helium fine structure
A. Marsman, M. Horbatsch, and E. A. Hessels
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 22 June 2015
Nuclear-Spin-Induced Circular Dichroism in the Infrared Region for Liquids
Fang Chen, Guo-hua Yao, Zhen-lin Zhang, Fan-chen Liu and Dong-ming Chen
ChemPhysChem., Vol: 16, No: 9 , published: 22 June 2015
Dual Fano and Lorentzian line profile properties of autoionizing states
B. Tu, J. Xiao, K. Yao, Y. Shen, Y. Yang, D. Lu, W. X. Li, M. L. Qiu, X. Wang, C. Y. Chen, Y. Fu, B. Wei, C. Zheng, L. Y. Huang, B. H. Zhang, Y. J. Tang, R. Hutton, and Y. Zou
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 22 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
Theoretical Characterisation of Phosphinyl Radicals and Their Magnetic Properties: g Matrix
Maciej Witwicki
ChemPhysChem., Vol: 16, No: 9 , published: 22 June 2015
Intramolecular Hydrogen Bonds Enhance Disparity in Reactivity between Isomers of Photoswitchable Sorbents and CO2: A Computational Study
Huarong Tang, Dongmei Lu and Chao Wu
ChemPhysChem., Vol: 16, No: 9 , published: 22 June 2015
Nature of the Intense Second-Order Nonlinear Optical Activity: DFT Studies on the Octupolarization of Sandwich-Type Bis(phthalocyaninato) Yttrium Skeletons
Dongdong Qi and Jianzhuang Jiang
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
Sol-to-Gel Transition in Fast Evaporating Systems Observed by in Situ Time-Resolved Infrared Spectroscopy
Plinio Innocenzi, Luca Malfatti, Davide Carboni and Masahide Takahashi
ChemPhysChem., Vol: 16, No: 9 , published: 22 June 2015
Negative Hyperconjugation versus Electronegativity: Vibrational Spectra of Free Fluorinated Alkoxide Ions in the Gas Phase
Jos Oomens, Giel Berden and Thomas Hellman Morton
ChemPhysChem., Vol: 16, No: 9 , published: 22 June 2015
Hybrid QTAIM and electrostatic potential-based quantum topology phase diagrams for water clusters
Anmol Kumar, Shridhar R. Gadre, Xiao Chenxia, Xu Tianlv, Steven Robert Kirk and Samantha Jenkins
Phys. Chem. Chem. Phys., Vol: 17, No: 23 , published: 21 June 2015
Tautomeric transition between wobble A·C DNA base mispair and Watson–Crick-like A·C* mismatch: microstructural mechanism and biological significance
Ol'ha O. Brovarets' and Dmytro M. Hovorun
Phys. Chem. Chem. Phys., Vol: 17, No: 23 , published: 21 June 2015
Intramolecular hydrogen bonds involving organic fluorine in the derivatives of hydrazides: an NMR investigation substantiated by DFT based theoretical calculations
Sandeep Kumar Mishra and N. Suryaprakash
Phys. Chem. Chem. Phys., Vol: 17, No: 23 , published: 21 June 2015
Hyperfine structure in the 62D3/2 and 62D5/2 states of Rb87 and Rb85
J. R. Brandenberger and R. E. Lindley
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 19 June 2015
Site-resolved imaging of ytterbium atoms in a two-dimensional optical lattice
Martin Miranda, Ryotaro Inoue, Yuki Okuyama, Akimasa Nakamoto, and Mikio Kozuma
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 19 June 2015
Low-energy positron–nitrogen-molecule scattering: A rovibrational close-coupling study
T. Mukherjee and M. Mukherjee
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 16 June 2015
Two-photon excitation to autoionizing states of He detected via radiative cascades to the metastable states
Andrej Mihelič and Matjaž Žitnik
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 15 June 2015
Weak-field asymptotic theory of tunneling ionization including the first-order correction terms: Application to molecules
Vinh H. Trinh, Vinh N. T. Pham, Oleg I. Tolstikhin, and Toru Morishita
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 15 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
Spin decontamination of broken-symmetry density functional theory calculations: deeper insight and new formulations
Nicolas Ferré, Nathalie Guihéry and Jean-Paul Malrieu
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
First principles potential for the cytosine dimer
Artür Manukyan and Adem Tekin
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Residual water in ionic liquids: clustered or dissociated?
Joshua E. S. J. Reid, Adam J. Walker and Seishi Shimizu
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Singlet ground state actinide chemistry with geminals
Paweł Tecmer, Katharina Boguslawski and Paul W. Ayers
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Incremental evaluation of coupled cluster dipole polarizabilities
Joachim Friedrich, Harley R. McAlexander, Ashutosh Kumar and T. Daniel Crawford
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Comparing induced point-dipoles and Drude oscillators
Michael Schmollngruber, Volker Lesch, Christian Schröder, Andreas Heuer and Othmar Steinhauser
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
Hydrogen bonding and π–π interactions in imidazolium-chloride ionic liquid clusters
Richard P. Matthews, Tom Welton and Patricia A. Hunt
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Subsystem-DFT potential-energy curves for weakly interacting systems
Danny Schlüns, Kevin Klahr, Christian Mück-Lichtenfeld, Lucas Visscher and Johannes Neugebauer
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Orbital entanglement and CASSCF analysis of the Ru–NO bond in a Ruthenium nitrosyl complex
Leon Freitag, Stefan Knecht, Sebastian F. Keller, Mickaël G. Delcey, Francesco Aquilante, Thomas Bondo Pedersen, Roland Lindh, Markus Reiher and Leticia González
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
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
How can [MoIV(CN)6]2−, an apparently octahedral (d)2 complex, be diamagnetic? Insights from quantum chemical calculations and magnetic susceptibility measurements
Mariusz Radoń, Paweł Rejmak, Magdalena Fitta, Maria Bałanda and Janusz Szklarzewicz
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 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
A general transformation to canonical form for potentials in pairwise interatomic interactions
Jay R. Walton, Luis A. Rivera-Rivera, Robert R. Lucchese and John W. Bevan
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Ultrafast vibrational and structural dynamics of dimeric cyclopentadienyliron dicarbonyl examined by infrared spectroscopy
Fan Yang, Pengyun Yu, Juan Zhao, Jipei Shi and Jianping Wang
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
Adiabatic and nonadiabatic static polarizabilities of H and H2
Juha Tiihonen, Ilkka Kylänpää, and Tapio T. Rantala
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 12 June 2015
Qualitative failure of a multiconfiguration method in prolate spheroidal coordinates in calculating dissociative photoionization of H2+
Daniel J. Haxton, Keith V. Lawler, and C. William McCurdy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 09 June 2015
Electron-atom scattering resonances: Complex-scaled multiconfigurational spin-tensor electron propagator method for Bshape resonances
Tsogbayar Tsednee and Danny L. Yeager
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 09 June 2015
Comparison of the Stability of Functionalized GaN and GaP
Stewart J. Wilkins, Tania Paskova, C. Lewis Reynolds Jr. and Albena Ivanisevic
ChemPhysChem., Vol: 16, No: 8 , published: 08 June 2015
Theoretical Investigation of the Reaction Mechanism of the Photoisomerization of 1,2-Dihydro-1,2-azaborine
Joonghan Kim, Jiwon Moon and Jeong Sik Lim
ChemPhysChem., Vol: 16, No: 8 , published: 08 June 2015
NMR Crystallography of an Oxovanadium(V) Complex by an Approach Combining Multinuclear Magic Angle Spinning NMR, DFT, and Spin Dynamics Simulations
Frédérique Pourpoint, Jenna Yehl, Mingyue Li, Rupal Gupta, Julien Trébosc, Olivier Lafon, Jean-Paul Amoureux and Tatyana Polenova
ChemPhysChem., Vol: 16, No: 8 , published: 08 June 2015
Impacts of electrode potentials and solvents on the electroreduction of CO2: a comparison of theoretical approaches
Stephan N. Steinmann, Carine Michel, Renate Schwiedernoch and Philippe Sautet
Phys. Chem. Chem. Phys., Vol: 17, No: 21 , published: 07 June 2015
Neural network iterative diagonalization method to solve eigenvalue problems in quantum mechanics
Hua-Gen Yu
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
Borazine: spin blocker or not?
Debojit Bhattacharya, Suranjan Shil, Anirban Misra, Laimutis Bytautas and Douglas J. Klein
Phys. Chem. Chem. Phys., Vol: 17, No: 21 , published: 07 June 2015
Properties of transition metal substituted zinc sulfide hexamers and dodecamers
Stefano Poggio, Brendan Wang, Ursula J. Gibson and Joseph J. BelBruno
Phys. Chem. Chem. Phys., Vol: 17, No: 21 , published: 07 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
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
Predicting the degree of aromaticity of novel carbaporphyrinoids
Rashid R. Valiev, Heike Fliegl and Dage Sundholm
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
Surface behavior of amphiphiles in aqueous solution: a comparison between different pentanol isomers
M.-M. Walz, C. Caleman, J. Werner, V. Ekholm, D. Lundberg, N. L. Prisle, G. Öhrwall and O. Björneholm
Phys. Chem. Chem. Phys., Vol: 17, No: 21 , published: 07 June 2015
Boundary-corrected four-body continuum-intermediate-state method: Single-electron capture from heliumlike atomic systems by fast nuclei
Ivan Mančev, Nenad Milojević, and Dževad Belkić
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 05 June 2015
41P1 Zn excitation by 80-eV electrons
Mariusz Piwiński, Łukasz Kłosowski, Dariusz Dziczek, Stanisław Chwirot, Dmitry V. Fursa, and Igor Bray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 05 June 2015
Determination of transition frequencies in a single Ba+138 ion
E. A. Dijck, M. Nuñez Portela, A. T. Grier, K. Jungmann, A. Mohanty, N. Valappol, and L. Willmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 04 June 2015
Electron elastic scattering and low-frequency bremsstrahlung on A@C60: A model static-exchange approximation
V. K. Dolmatov, C. Bayens, M. B. Cooper, and M. E. Hunter
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 04 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
Imaging the dipole-dipole energy exchange between ultracold rubidium Rydberg atoms
Donald P. Fahey, Thomas J. Carroll, and Michael W. Noel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 01 June 2015
Positron scattering on molecular hydrogen: Analysis of experimental and theoretical uncertainties
Kamil Fedus, Jan Franz, and Grzegorz P. Karwasz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 6 , published: 01 June 2015
Энергии появления фрагментов при диссоциативной ионизации молекулы гексафторида серы электронным ударом
Демеш Ш.Ш., Завилопуло А.Н., Шпеник О.Б., Ремета Е.Ю.
Ж. техн. физ., Vol: 85, No: 6 , published: 01 June 2015
Комплексы оловоорганических соединений с бис- и трисфосфонатными производными 2,6-ди-трет-бутилфенола, обладающие антиоксидантной активностью
В. Ю. Тюрин, У Яохуань, А. А. Прищенко, Д. Б. Шпаковский, Ю. А. Грачева, Т. А. Антоненко, В. А. Тафеенко, Д. В. Альбов, Л. А. Асланов, Е. Р. Милаева
Изв. РАН. Сер. хим., Vol: 2015, No: 6 , published: 01 June 2015
Звукохимические превращения хелатных и клатратных структур в поле низкочастотных акустических воздействий
Фадеев Г.Н., Болдырев В.С., Синкевич В.В.
Докл. РАН, Vol: 462, No: 4 , 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
Multiple ionization of neon atoms in collisions with bare and dressed ions: A mean-field description considering target response
Gerald Schenk and Tom Kirchner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 29 May 2015
Dirac-Fock calculations of K, L, and M-shell fluorescence and Coster-Kronig yields for Ne, Ar, Kr, Xe, Rn, and Uuo
J. M. Sampaio, T. I. Madeira, M. Guerra, F. Parente, J. P. Santos, P. Indelicato, and J. P. Marques
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , 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
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
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
Electronic structure and photoelectron spectra of Bn with n = 26–29: an overview of structural characteristics and growth mechanism of boron clusters
Truong Ba Tai and Minh Tho Nguyen
Phys. Chem. Chem. Phys., Vol: 17, No: 20 , published: 28 May 2015
Hydrogen bonding motifs in a hydroxy-bisphosphonate moiety: revisiting the problem of hydrogen bond identification
Mitra Ashouri, Ali Maghari and M. H. Karimi-Jafari
Phys. Chem. Chem. Phys., Vol: 17, No: 20 , published: 28 May 2015
Pathways for nonsequential and sequential fragmentation of CO23+ investigated by electron collision
Enliang Wang, Xu Shan, Zhenjie Shen, Maomao Gong, Yaguo Tang, Yi Pan, Kai-Chung Lau, and Xiangjun Chen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 28 May 2015
Fullerene recognition with molecular tweezers made up of efficient buckybowls: a dispersion-corrected DFT study
Daniela Josa, Jesús Rodríguez-Otero and Enrique M. Cabaleiro-Lago
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
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
Model-free measurement of the excited-state fraction in a Rb85 magneto-optical trap
G. Veshapidze, J.-Y. Bang, C. W. Fehrenbach, H. Nguyen, and B. D. DePaola
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 27 May 2015
Semiclassical analysis of angular differential cross sections for single-electron capture in 250-eV H++H collisions
F. Frémont
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 27 May 2015
Kinetic theory of positron-impact ionization in gases
G. J. Boyle, W. J. Tattersall, D. G. Cocks, S. Dujko, and R. D. White
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 27 May 2015
Alignment-to-orientation conversion in a magnetic field at nonlinear excitation of the D2 line of rubidium: Experiment and theory
M. Auzinsh, A. Berzins, R. Ferber, F. Gahbauer, L. Kalvans, A. Mozers, and A. Spiss
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 21 May 2015
Perspectives on external electric fields in molecular simulation: progress, prospects and challenges
Niall J. English and Conor J. Waldron
Phys. Chem. Chem. Phys., Vol: 17, No: 19 , published: 21 May 2015
Predicting accurate absolute binding energies in aqueous solution: thermodynamic considerations for electronic structure methods
Jan H. Jensen
Phys. Chem. Chem. Phys., Vol: 17, No: 19 , published: 21 May 2015
NANOGOLD decorated by pHLIP peptide: comparative force field study
A. Kyrychenko
Phys. Chem. Chem. Phys., Vol: 17, No: 19 , published: 21 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
Decomposition of nitroimidazole ions: experiment and theory
Linda Feketeová, Johannes Postler, Athanasios Zavras, Paul Scheier, Stephan Denifl and Richard A. J. O'Hair
Phys. Chem. Chem. Phys., Vol: 17, No: 19 , published: 21 May 2015
Energies and structures in biradical chemistry from the parametric two-electron reduced-density matrix method: applications to the benzene and cyclobutadiene biradicals
Alison L. McManus, Erik P. Hoy and David A. Mazziotti
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
A molecular dynamics study of guest–host hydrogen bonding in alcohol clathrate hydrates
Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, Saman Alavi and Kenji Yasuoka
Phys. Chem. Chem. Phys., Vol: 17, No: 19 , published: 21 May 2015
Influence of a surface in the nonretarded interaction between two atoms
Reinaldo de Melo e Souza, W. J. M. Kort-Kamp, F. S. S. Rosa, and C. Farina
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 20 May 2015
Low-energy photoelectron dynamics in Kr 3d5/2 photoionization followed by Auger decay
Qianxia Wang and S. D. Loch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 19 May 2015
Generalized eikonal approximation for strong-field ionization
F. Cajiao Vélez, K. Krajewska, and J. Z. Kamiński
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 19 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
π-Hole Bonds: Boron and Aluminum Lewis Acid Centers
Sławomir J. Grabowski
ChemPhysChem., Vol: 16, No: 7 , published: 19 May 2015
DFT-Aided Vibrational Circular Dichroism Spectroscopy Study of (−)-S-cotinine
Pilar G. Rodríguez Ortega, Manuel Montejo, Fernando Márquez and Juan J. López González
ChemPhysChem., Vol: 16, No: 7 , published: 19 May 2015
Electronic Structure and Partial Charge Distribution of Doxorubicin in Different Molecular Environments
Lokendra Poudel, Amy M. Wen, Roger H. French , V. Adrian Parsegian, Rudolf Podgornik , Nicole F. Steinmetz  and Wai-Yim Ching
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
Factors Affecting the Branching Ratio of Photodissociation: Thiophenol Studied through Quantum Wavepacket Dynamics
Heesun An, Heechol Choi, Yoon Sup Lee and Kyoung Koo Baeck
ChemPhysChem., Vol: 16, No: 7 , published: 19 May 2015
Conformational Structures of a Decapeptide Validated by First Principles Calculations and Cold Ion Spectroscopy
Tapta Kanchan Roy, Vladimir Kopysov, Natalia S. Nagornova, Thomas R. Rizzo, Oleg V. Boyarkin and R. Benny Gerber
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
Attosecond time delay in the photoionization of Mn in the region of the 3p3d giant resonance
V. K. Dolmatov, A. S. Kheifets, P. C. Deshmukh, and S. T. Manson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 18 May 2015
In-trap fluorescence detection of atoms in a microscopic dipole trap
A. J. Hilliard, Y. H. Fung, P. Sompet, A. V. Carpentier, and M. F. Andersen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 18 May 2015
In-trap fluorescence detection of atoms in a microscopic dipole trap
A. J. Hilliard, Y. H. Fung, P. Sompet, A. V. Carpentier, and M. F. Andersen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 18 May 2015
Linear and circular dichroism in photoelectron angular distributions caused by electron correlation
Yoshi-Ichi Suzuki and Toshinori Suzuki
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 18 May 2015
Strong competition between velocity-changing and phase- or state-changing collisions in H2 spectra perturbed by Ar
P. Wcisło, F. Thibault, H. Cybulski, and R. Ciuryło
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 18 May 2015
Coherent chemistry with THz pulses: Ultrafast field-driven isomerization of LiNC
L. A. Pellouchoud and E. J. Reed
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 18 May 2015
Dipole and nondipole photoionization of molecular hydrogen
B. Zimmermann, V. McKoy, S. H. Southworth, E. P. Kanter, B. Krässig, and R. Wehlitz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 15 May 2015
Квантово-химическое изучение фотомагнитных свойств монохелатов Ni(II) с хроменами
Старикова А.А., Стариков А.Г., Минкин В.И.
Докл. РАН, Vol: 462, No: 2 , published: 15 May 2015
Identifying and tracing potential energy surfaces of electronic excitations with specific character via their transition origins: application to oxirane
Jian-Hao Li, T. J. Zuehlsdorff, M. C. Payne and N. D. M. Hine
Phys. Chem. Chem. Phys., Vol: 17, No: 18 , published: 14 May 2015
Theoretical gas to liquid shift of 15N isotropic nuclear magnetic shielding in nitromethane using ab initio molecular dynamics and GIAO/GIPAW calculations
Iann C. Gerber and Franck Jolibois
Phys. Chem. Chem. Phys., Vol: 17, No: 18 , published: 14 May 2015
Photodynamic behavior of electronic coupling in a N-methylformamide dimer
Martina Zámečníková and Dana Nachtigallová
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
Observable-targeting global cluster structure optimization
Johannes M. Dieterich and Bernd Hartke
Phys. Chem. Chem. Phys., Vol: 17, No: 18 , published: 14 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
Coherent and stochastic contributions of compound resonances in atomic processes: Electron recombination, photoionization, and scattering
V. V. Flambaum, M. G. Kozlov, and G. F. Gribakin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 12 May 2015
Dissociation dynamics in the dissociative electron attachment to carbon dioxide
Pamir Nag and Dhananjay Nandi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 12 May 2015
Electron-impact excitation of silver
S. D. Tošić, V. Pejčev, D. Šević, R. P. McEachran, A. D. Stauffer, and B. P. Marinković
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 11 May 2015
Core-shell magneto-optical trap for alkaline-earth-metal-like atoms
Jeongwon Lee, Jae Hoon Lee, Jiho Noh, and Jongchul Mun
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 08 May 2015
Strongly correlated plexcitonics: evolution of the Fano resonance in the presence of Kondo correlations
A. Goker
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
Exploring the electronic properties and cation complexation of polyoxoaurates [AuIII4X4Om]n (X = SiIV, PV, GeIV, AsV, and SeIV) using quantum chemical calculations
Caixia Wu, Tengying Ma, Likai Yan, Ting Zhang and Zhongmin Su
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
Fragmentation mechanisms of cytosine, adenine and guanine ionized bases
Leila Sadr-Arani, Pierre Mignon, Henry Chermette, Hassan Abdoul-Carime, Bernadette Farizon and Michel Farizon
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
XPS of guanidinium ionic liquids: a comparison of charge distribution in nitrogenous cations
Ana R. Santos, Rebecca K. Blundell and Peter Licence
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
State-to-state vacuum ultraviolet photodissociation study of CO2 on the formation of state-correlated CO(X1Σ+; v) with O(1D) and O(1S) photoproducts at 11.95–12.22 eV
Zhou Lu, Yih Chung Chang, Yanice Benitez, Zhihong Luo, Adel Ben Houria, Tarek Ayari, Muneerah Mogren Al Mogren, M. Hochlaf, W. M. Jackson and C. Y. Ng
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
Charge transfer and association of Li+ colliding with Na from very low to intermediate energies
T. C. Li, Y. Z. Qu, Y. Wu, L. Liu, J. G. Wang, H.-P. Liebermann, and R. J. Buenker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 07 May 2015
A new potential energy surface for the ground electronic state of the LiH2 system, and dynamics studies on the H(2S) + LiH(X1Σ+) → Li(2S) + H2(X1Σg+) reaction
Jiuchuang Yuan, Di He and Maodu Chen
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 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
Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: an ab initio molecular dynamics study
Philippe Carbonniere, Claude Pouchan and Roberto Improta
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
β-Isocyanoalanine as an IR probe: comparison of vibrational dynamics between isonitrile and nitrile-derivatized IR probes
Michał Maj, Changwoo Ahn, Dorota Kossowska, Kwanghee Park, Kyungwon Kwak, Hogyu Han and Minhaeng Cho
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
Activation enthalpies and entropies of the atropisomerization of substituted butyl-bridged biphenyls
Angela Bihlmeier, Jürgen Rotzler, Michel Rickhaus, Marcel Mayor and Wim Klopper
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
Simultaneous DNP enhancements of 1H and 13C nuclei: theory and experiments
Daphna Shimon, Yonatan Hovav, Ilia Kaminker, Akiva Feintuch, Daniella Goldfarb and Shimon Vega
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
Magnetic levitation for effective loading of cold cesium atoms in a crossed dipole trap
Yuqing Li, Guosheng Feng, Rundong Xu, Xiaofeng Wang, Jizhou Wu, Gang Chen, Xingcan Dai, Jie Ma, Liantuan Xiao, and Suotang Jia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 06 May 2015
Electron-impact-induced dissociation of small argon clusters
Thomas Pflüger, Xueguang Ren, and Alexander Dorn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 06 May 2015
Поляризационные характеристики излучения ансамбля атомов при когерентном возбуждении в присутствии сильного магнитного поля
Петрашень А.Г., Сытенко Н.В.
Оптика и спектроскопия, Vol: 118, No: 5 , published: 01 May 2015
Глубокое рамановское охлаждение щелочно-земельных атомов
Анучина Ю.Д., Иванов В.С., Рождественский Ю.В.
Оптика и спектроскопия, Vol: 118, No: 5 , published: 01 May 2015
О задании нежестких движений молекулы несобственными элементами ее точеной группы
Буренин А.В.
Оптика и спектроскопия, Vol: 118, No: 5 , published: 01 May 2015
J-Edited Pure Shift NMR for the Facile Measurement of nJHH for Specific Protons
Sachin Rama Chaudhari and N. Suryaprakash
ChemPhysChem., Vol: 16, No: 5 , published: 01 May 2015
Ionization modulation of H by two time-delayed strong IR pulses
Shu-Na Song, Ji-Wei Geng, Li-Zhong Li, Hong-Bing Jiang, and Liang-You Peng
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 5 , published: 01 May 2015
Oxidation-State Analysis of Ceria by X-ray Photoelectron Spectroscopy
Aschkan Allahgholi, J. Ingo Flege, Sebastian Thieß, Wolfgang Drube and Jens Falta
ChemPhysChem., Vol: 16, 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
Density Functional Theory and Hydrogen Bonds: Are We There Yet?
A. Daniel Boese
ChemPhysChem., Vol: 16, No: 5 , published: 01 May 2015
Излучение  O2(1Δ) на длине волны 1.27 мкм, индуцированное столкновениями с молекулами кислорода
Загидуллин М.В., Хватов Н.А., Инсапов А.С.
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
Raman and FTIR Spectroscopic Studies of 1-Ethyl-3-methylimidazolium Trifluoromethylsulfonate, its Mixtures with Water and the Solvation of Zinc Ions
Zhen Liu, Sherif Zein El Abedin and Frank Endres
ChemPhysChem., Vol: 16, No: 5 , published: 01 May 2015
Ionic Fluids Containing Both Strongly and Weakly Interacting Ions of the Same Charge Have Unique Ionic and Chemical Environments as a Function of Ion Concentration
Hui Wang, Steven P. Kelley, Jimmy W. Brantley III, Gregory Chatel, Julia Shamshina, Jorge F. B. Pereira, Varun Debbeti, Allan S. Myerson and Robin D. Rogers
ChemPhysChem., Vol: 16, 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
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
Nuclear electric quadrupole moment of gold from the molecular method
Régis Tadeu Santiago and Roberto Luiz Andrade Haiduke
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 30 April 2015
Effect of nuclear motion on the critical nuclear charge for two-electron atoms
Andrew W. King, Luke C. Rhodes, Charles A. Readman, and Hazel Cox
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 29 April 2015
Classical description of H(1s) and H*(n=2) for cross-section calculations relevant to charge-exchange diagnostics
N. D. Cariatore, S. Otranto, and R. E. Olson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , 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
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
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
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
Unified parameter for localization in isotope-selective rotational excitation of diatomic molecules using a train of optical pulses
Leo Matsuoka
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 28 April 2015
Slow-to-fast transition of hydrogen bond dynamics in acetamide hydration shell formation
Francesco D'Amico, Barbara Rossi, Gaia Camisasca, Filippo Bencivenga, Alessandro Gessini, Emiliano Principi, Riccardo Cucini and Claudio Masciovecchio
Phys. Chem. Chem. Phys., Vol: 17, No: 16 , published: 28 April 2015
Interaction energy of nonidentical atoms
P. R. Berman
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 27 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
Probing calculated O2+ potential-energy curves with an XUV-IR pump-probe experiment
Philipp Cörlin, Andreas Fischer, Michael Schönwald, Alexander Sperl, Tomoya Mizuno, Uwe Thumm, Thomas Pfeifer, and Robert Moshammer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 22 April 2015
The n → π* interaction: a rapidly emerging non-covalent interaction
Santosh K. Singh and Aloke Das
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 April 2015
Singlet–triplet gaps in polyacenes: a delicate balance between dynamic and static correlations investigated by spin–flip methods
Collins U. Ibeji and Debashree Ghosh
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 April 2015
Correlation trends in the hyperfine structures of Fr210,212
B. K. Sahoo, D. K. Nandy, B. P. Das, and Y. Sakemi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 21 April 2015
Unconventional charge distribution in the planar wheel-type M©B6H6−/0/+ (M = Mn, Fe and Co): central M with negative charges and peripheral boron ring with positive charges
Jianhua Hou, Qian Duan, Jieming Qin, Xiande Shen, Jianxun Zhao, Qingcheng Liang, Dayong Jiang and Shang Gao
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 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 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
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
State-to-state dynamics of high-n Rydberg H-atom scattering with H2: inelastic scattering and reactive scattering
Shengrui Yu, Shu Su, Dongxu Dai, Kaijun Yuan and Xueming Yang
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 April 2015
Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations
Shu-Hua Xia, Bin-Bin Xie, Qiu Fang, Ganglong Cui and Walter Thiel
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 April 2015
Bracketing subtle conformational energy differences between self-solvated and stretched trifluoropropanol
Matthias Heger, Katharina E. Otto, Ricardo A. Mata and Martin A. Suhm
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
Combining Raman and infrared spectroscopy as a powerful tool for the structural elucidation of cyclodextrin-based polymeric hydrogels
V. Venuti, B. Rossi, F. D'Amico, A. Mele, F. Castiglione, C. Punta, L. Melone, V. Crupi, D. Majolino, F. Trotta, A. Gessini and C. Masciovecchio
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
Cold interactions between an Yb+ ion and a Li atom: Prospects for sympathetic cooling, radiative association, and Feshbach resonances
Michał Tomza, Christiane P. Koch, and Robert Moszynski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 17 April 2015
Two-color above-threshold and two-photon sequential double ionization beyond the dipole approximation
International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS2014) 15–18 July 2014, Metz, France
A. N. Grum-Grzhimailo, E. V. Gryzlova, E. I. Kuzmina, A. S. Chetverkina and S. I. Strakhova
J. Phys.: Conf. Ser., Vol: 2015, No: 601 , published: 16 April 2015
Rydberg-state mixing in the presence of an external electric field: Comparison of the hydrogen and antihydrogen spectra
D. Solovyev and E. Solovyeva
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 16 April 2015
Single and Double Ionization of Atoms and Small Molecules by Short-Pulse Intense Laser Fields
International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS2014) 15–18 July 2014, Metz, France
Klaus Bartschat
J. Phys.: Conf. Ser., Vol: 2015, No: 601 , published: 16 April 2015
Sturmian approach to single photoionization of many electron atoms and molecules
International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS2014) 15–18 July 2014, Metz, France
C. M. Granados—Castro, L. U. Ancarani, G. Gasaneo and D. M. Mitnik
J. Phys.: Conf. Ser., Vol: 2015, No: 601 , published: 16 April 2015
Charge transfer processes in proton-helium collisions: The validity of the first Born approximation
International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS2014) 15–18 July 2014, Metz, France
Yu V. Popov, A. Galstyan, O. Chuluunbaatar, S. Houamer, A. A. Bulychev, M. S. Schöffler, H.-K. Kim, J. N. Titze, T. Jahnke, L. Ph H. Schmidt, H. Schmidt-Böcking and R. Dörner
J. Phys.: Conf. Ser., Vol: 2015, No: 601 , published: 16 April 2015
Target electron ionization in Li2+-Li collisions: A multi-electron perspective
International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS2014) 15–18 July 2014, Metz, France
M. D. Śpiewanowski, L. Gulyás, M. Horbatsch, J. Goullon, N. Ferreira, R. Hubele, V. L. B. de Jesus, H. Lindenblatt, K. Schneider, M. Schulz, M. Schuricke, Z. Song, S. Zhang, D. Fischer and T. Kirchner
J. Phys.: Conf. Ser., Vol: 2015, No: 601 , published: 16 April 2015
Spin-polarized single- and two-electron spectroscopies at various kinematics
International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS2014) 15–18 July 2014, Metz, France
S. Samarin, M. Tan, O. Artamonov, A. Baraban, P. Guagliardo and J. Williams
J. Phys.: Conf. Ser., Vol: 2015, No: 601 , published: 16 April 2015
Electron impact experimental and theoretical fourfold differential cross section for CH4
International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS2014) 15–18 July 2014, Metz, France
R. El Mir, E. M. Staicu Casagrande, C. Dal Cappello, A. Naja, A. Mansouri and I. Kada
J. Phys.: Conf. Ser., Vol: 2015, No: 601 , published: 16 April 2015
Interference effects for intermediate energy electron-impact ionization of H2 and N2 molecules
International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS2014) 15–18 July 2014, Metz, France
Zehra Nur Ozer, Hari Chaluvadi, Don Madison and Mevlut Dogan
J. Phys.: Conf. Ser., Vol: 2015, No: 601 , published: 16 April 2015
Spectra of barium, radium, and element 120: Application of the combined correlation-potential, singles-doubles, and configuration-interaction ab initio methods
J. S. M. Ginges and V. A. Dzuba
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 15 April 2015
ERPA–APSG: a computationally efficient geminal-based method for accurate description of chemical systems
Ewa Pastorczak and Katarzyna Pernal
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Theoretical investigation of quadrupole contributions to surface sum-frequency vibrational spectroscopy
Ren-hui Zheng, Wen-mei Wei and Qiang Shi
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
Activation of C–H and B–H bonds through agostic bonding: an ELF/QTAIM insight
Emilie-Laure Zins, Bernard Silvi and M. Esmaïl Alikhani
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Planar tetracoordinate carbons with a double bond in CAl3E clusters
Zhong-hua Cui, Yi-hong Ding, José Luis Cabellos, Edison Osorio, Rafael Islas, Albeiro Restrepo and Gabriel Merino
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Conformational composition, molecular structure and decomposition of difluorophosphoryl azide in the gas phase
Zhuang Wu, Hongmin Li, Bifeng Zhu, Xiaoqing Zeng, Stuart A. Hayes, Norbert W. Mitzel, Helmut Beckers and Raphael J. F. Berger
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Accurate calculation of 31P NMR chemical shifts in polyoxometalates
Magda Pascual-Borràs, Xavier López and Josep M. Poblet
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Enantioselective femtosecond laser photoionization spectrometry of limonene using photoelectron circular dichroism
Mohammad M. Rafiee Fanood, Maurice H. M. Janssen and Ivan Powis
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 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
Computational investigations of the thermodynamic properties of size-selected water and Ar–water clusters: high-pressure transitions
Aleš Vítek, D. J. Arismendi-Arrieta, R. Rodríguez-Cantano, R. Prosmiti, P. Villarreal, R. Kalus and G. Delgado-Barrio
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
A study of optical absorption of cysteine-capped CdSe nanoclusters using first-principles calculations
Yingqi Cui, Zhaoyang Lou, Xinqin Wang, Shengping Yu and Mingli Yang
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Collision cross section measurements for biomolecules within a high-resolution FT-ICR cell: theory
Dan Guo, Yi Xin, Dayu Li and Wei Xu
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
Encapsulation of haloalkane 1-(3-chlorophenyl)-4-(3-chloropropyl)-piperazinium in symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril
Xin Xiao, Zhong-Zheng Gao, Cheng-Long Shan, Zhu Tao, Qian-Jiang Zhu, Sai-Feng Xue and Jing-Xin Liu
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Understand, elucidate and rationalize the coordination mode of pyrimidylmethylamines: an intertwined study combining NMR and DFT methods
J. E. Herbert Pucheta, M. Candy, O. Colin, A. Requet, F. Bourdreux, E. Galmiche-Loire, A. Gaucher, C. Thomassigny, D. Prim, M. Mahfoudh, E. Leclerc, J.-M. Campagne and J. Farjon
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Structural, elastic and vibrational properties of nanocrystalline lutetium gallium garnet under high pressure
V. Monteseguro, P. Rodríguez-Hernández, H. M. Ortiz, V. Venkatramu, F. J. Manjón, C. K. Jayasankar, V. Lavín and A. Muñoz
Phys. Chem. Chem. Phys., Vol: 17, No: 14 , published: 14 April 2015
Field ionization of Rydberg atoms in a single-cycle pulse
B. C. Yang and F. Robicheaux
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 13 April 2015
Microwave spectroscopy of the calcium 4snf4s(n+1)d,4sng,4snh,4sni, and 4snk transitions
J. Nunkaew and T. F. Gallagher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 10 April 2015
Alignment- and orientation-dependent strong-field ionization of molecules: Field-induced orbital distortion effects
Maciej Dominik Śpiewanowski and Lars Bojer Madsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 10 April 2015
Two-photon absorption and spectroscopy of the lowest two-photon transition in small donor-acceptor–substituted organic molecules
Marten T. Beels, Ivan Biaggio, Tristan Reekie, Melanie Chiu, and François Diederich
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 10 April 2015
Isotope-selective dissociation of diatomic molecules by terahertz optical pulses
Akira Ichihara, Leo Matsuoka, Etsuo Segawa, and Keiichi Yokoyama
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 09 April 2015
Formation of antiprotonic helium p¯He+ and ionization in low-energy collisions of p¯ with He in the ground 1S1 and metastable 2S3 and 2S1 states
Kazuhiro Sakimoto
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 09 April 2015
Squared form factors for the A1Π and B1Σ+ vibronic bands of carbon monoxide studied by high-resolution inelastic x-ray scattering
Dong-Dong Ni, Xu Kang, Ke Yang, Ya-Wei Liu, Xiao-Xun Mei, Xiao-Li Zhao, Long-Quan Xu, Nozomu Hiraoka, Ku-Ding Tsuei, and Lin-Fan Zhu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 4 , published: 07 April 2015
Representing the potential-energy surface of protonated water clusters by high-dimensional neural network potentials
Suresh Kondati Natarajan, Tobias Morawietz and Jörg Behler
Phys. Chem. Chem. Phys., Vol: 17, No: 13 , published: 07 April 2015
Structural properties of methanol–water binary mixtures within the quantum cluster equilibrium model
G. Matisz, A.-M. Kelterer, W. M. F. Fabian and S. Kunsági-Máté
Phys. Chem. Chem. Phys., Vol: 17, No: 13 , published: 07 April 2015
Hydrogen bonding in a mixture of protic ionic liquids: a molecular dynamics simulation study
Dietmar Paschek, Benjamin Golub and Ralf Ludwig
Phys. Chem. Chem. Phys., Vol: 17, No: 13 , published: 07 April 2015
Соотношение между волновыми функциями дискретного и непрерывного спектров и формула Ферми-Сегре
Зилитис В.А.
Оптика и спектроскопия, Vol: 118, No: 4 , published: 01 April 2015
Длины волн переходов 4 D-4 P, 0 -1 рентгеновских лазеров в Ni-подобных ионах с Z ≤ 79
Иванова Е.П.
Оптика и спектроскопия, Vol: 118, No: 4 , published: 01 April 2015
Исследование спектроскопических свойств двухатомных молекул на основе высоких порядков операторной теории возмущений
Бехтерева Е.С., Литвиновская А.Г., Конов И.А., Громова О.В., Чертавских Ю.В., Це Д.Ф., Улеников О.Н.
Изв. вузов. Физ., Vol: 58, No: 4 , published: 01 April 2015
Use of Modified Self-Frictional Laguerre Power Series for Study of Atomic Nuclear Attraction Integrals of Noninteger Slater-Type Orbitals and Coulomb–Yukawa-Like Potentials
I. I. Guseinov
Bull. Chem. Soc. Jpn., Vol: 88, No: 4 , published: 01 April 2015
Спектроскопические ячейки микронной толщины для изучения режима Пашена - Бака на сверхтонкой структуре атомов цезия
Саргсян А., Глушко Б., Саркисян Д.
Ж. эксперим. и теор. физ., Vol: 147, No: 4 , published: 01 April 2015
Квантово-химическое моделирование диссоциативной хемосорбции водорода на металлических поверхностях нанокластеров
А. В. Воротынцев, С. В. Зеленцов, В. М. Воротынцев, А. Н. Петухов, А. В. Кадомцева
Изв. РАН. Сер. хим., Vol: 2015, No: 4 , published: 01 April 2015
Аддитивные свойства молекулярной магнитной восприимчивости хлорзамещенных нафталинов
К. Ф. Шеберстов, В. А. Чертков
Изв. РАН. Сер. хим., Vol: 2015, No: 4 , published: 01 April 2015
Resonance Raman Spectroscopy with Chemical State Selectivity on Histidine and Acetamide Using Synchrotron Radiation
Makina Saito, Francesco D’Amico, Gaia Camisasca, Filippo Bencivenga, Riccardo Cucini, Alessandro Gessini, Emiliano Principi, Takashi Ogura, Claudio Masciovecchio
Bull. Chem. Soc. Jpn., Vol: 88, No: 4 , published: 01 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
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
Differential elastic electron scattering by pentane
Kamil Fedus, C. Navarro, L. R. Hargreaves, M. A. Khakoo, Alessandra Souza Barbosa, and M. H. F. Bettega
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, 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
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
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
Химия непредельных аренхромтрикарбонильных соединений Сообщение 2.* Синтез новых комплексов изоксазолидинов реакцией 1,3-диполярного циклоприсоединения η6-(арен)хромтрикарбонильных производных нитронов с акрилонитрилом
Н. Ю. Заровкина, Е. В. Сазонова, А. Н. Артемов, Г. К. Фукин
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
Кластерные анионы бора [BNHN]2 (N = 10, 12) в формировании биядерных комплексов железа(II) с мостиковой СО3-группой и азагетероциклическими лигандами L (L = Bipy, Phen)
Авдеева В.В., Вологжанина А.В., Гоева Л.В., Малинина Е.А., Кузнецов Н.Т.
Докл. РАН, Vol: 461, No: 6 , 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
Formation of Acyl and Dioxycarbene Ruthenium Complexes via Double C–S Bond Cleavage and CO Insertion
Kiyokazu Santo, Masakazu Hirotsu, Keisuke Kawamoto, Takanori Nishioka, Isamu Kinoshita
Bull. Chem. Soc. Jpn., Vol: 88, No: 4 , published: 01 April 2015
Magic wavelengths for the 5s18s transition in rubidium
E. A. Goldschmidt, D. G. Norris, S. B. Koller, R. Wyllie, R. C. Brown, J. V. Porto, U. I. Safronova, and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 30 March 2015
Exclusion principle for photons: Spin-statistic selection rules for multiphoton transitions in atomic systems
T. Zalialiutdinov, D. Solovyev, L. Labzowsky, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 30 March 2015
Implementation of the Z-vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule
Sudip Sasmal, Himadri Pathak, Malaya K. Nayak, Nayana Vaval, and Sourav Pal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 30 March 2015
Magic wavelengths for the 5s18s transition in rubidium
E. A. Goldschmidt, D. G. Norris, S. B. Koller, R. Wyllie, R. C. Brown, J. V. Porto, U. I. Safronova, and M. S. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 30 March 2015
Electron-positron pair creation in low-energy collisions of heavy bare nuclei
I. A. Maltsev, V. M. Shabaev, I. I. Tupitsyn, A. I. Bondarev, Y. S. Kozhedub, G. Plunien, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 30 March 2015
Charge-exchange collisions between ultracold fermionic lithium atoms and calcium ions
Shinsuke Haze, Ryoichi Saito, Munekazu Fujinaga, and Takashi Mukaiyama
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 30 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
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
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
Double Compton scattering in a constant crossed field
B. King
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 27 March 2015
Hyperfine structure of the (3s3d)3DJ manifold of Mg25 i
N. K. Kjøller, S. G. Porsev, P. G. Westergaard, N. Andersen, and J. W. Thomsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 26 March 2015
Nuclear electric quadrupole moment of potassium from the molecular method
Tiago Quevedo Teodoro, Roberto Luiz Andrade Haiduke, and Lucas Visscher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 26 March 2015
Lifetime determination of the 5d2 3F2 state in barium using trapped atoms
S. De, U. Dammalapati, and L. Willmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 26 March 2015
Hilbert transform: Applications to atomic spectra
Kate A. Whittaker, James Keaveney, Ifan G. Hughes, and Charles S. Adams
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 25 March 2015
Experimental study of the x-ray transitions in the heliumlike isoelectronic sequence: Updated results
Peter Beiersdorfer and Gregory V. Brown
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 25 March 2015
Strong-field ionization with two-color circularly polarized laser fields
Christopher A. Mancuso, Daniel D. Hickstein, Patrik Grychtol, Ronny Knut, Ofer Kfir, Xiao-Min Tong, Franklin Dollar, Dmitriy Zusin, Maithreyi Gopalakrishnan, Christian Gentry, Emrah Turgut, Jennifer L. Ellis, Ming-Chang Chen, Avner Fleischer, Oren Cohen, Henry C. Kapteyn, and Margaret M. Murnane
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 25 March 2015
Quasiclassical quantum defect theory and the spectrum of highly excited rubidium atoms
Ali Sanayei, Nils Schopohl, Jens Grimmel, Markus Mack, Florian Karlewski, and József Fortágh
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 23 March 2015
Theoretical isotope shifts in neutral barium
C. Nazé, J. G. Li, and M. Godefroid
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 23 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
Electric field induced surface-enhanced Raman spectroscopy for multianalyte detection
Sumeet Walia, Aditya K. Shah, Paul R. Stoddart, Madhu Bhaskaran and Sharath Sriram
Phys. Chem. Chem. Phys., Vol: 17, No: 11 , published: 21 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
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
Three centered hydrogen bonds of the type C[double bond, length as m-dash]O⋯H(N)⋯X–C in diphenyloxamide derivatives involving halogens and a rotating CF3 group: NMR, QTAIM, NCI and NBO studies
A. Lakshmipriya, Sachin Rama Chaudhari, Abhishek Shahi, E. Arunan and N. Suryaprakash
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
Investigating the static dipole polarizability of noble-gas atoms confined in impenetrable spheres and shells
J. A. Ludlow and Teck-Ghee Lee
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 20 March 2015
Photon polarization in Compton scattering: pulse shape effects
23rd International Laser Physics Workshop (LPHYS'14) 14–18 July 2014, Sofia, Bulgaria
M. Boca, C. Stoica, A. Dumitriu and V. Florescu
J. Phys.: Conf. Ser., Vol: 2015, No: 594 , published: 18 March 2015
Kinematically complete study of low-energy electron-impact ionization of neon: Internormalized cross sections in three-dimensional kinematics
Xueguang Ren, Sadek Amami, Oleg Zatsarinny, Thomas Pflüger, Marvin Weyland, Woon Yong Baek, Hans Rabus, Klaus Bartschat, Don Madison, and Alexander Dorn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 18 March 2015
Kinematically complete study of low-energy electron-impact ionization of neon: Internormalized cross sections in three-dimensional kinematics
Xueguang Ren, Sadek Amami, Oleg Zatsarinny, Thomas Pflüger, Marvin Weyland, Woon Yong Baek, Hans Rabus, Klaus Bartschat, Don Madison, and Alexander Dorn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 18 March 2015
Physisorption and Chemisorption on Silver Clusters
Martin Schmidt, Albert Masson, Hai-Ping Cheng, Catherine Bréchignac
ChemPhysChem., Vol: 16, No: 4 , published: 16 March 2015
Gas-Phase Infrared Spectra of Three Compounds of Astrochemical Interest: Vinyl, Allenyl, and Propargyl Isocyanides
Abdessamad Benidar, Didier Bégué, Falk Richter, Claude Pouchan, Mohammed Lahcini, Jean-Claude Guillemin
ChemPhysChem., Vol: 16, No: 4 , published: 16 March 2015
Magnetic-field-enabled resolution enhancement in super-resolution imaging
Min Zhang, Junling Chen, Jing Gao, Zhiyong Wang, Haijiao Xu, Mingjun Cai, Junguang Jiang, Zhiyuan Tian and Hongda Wang
Phys. Chem. Chem. Phys., Vol: 17, No: 10 , published: 14 March 2015
Quantum chemical calculations of 31P NMR chemical shifts: scopes and limitations
Shamil K. Latypov, Fedor M. Polyancev, Dmitry G. Yakhvarov and Oleg G. Sinyashin
Phys. Chem. Chem. Phys., Vol: 17, No: 10 , published: 14 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
Surface site coordination dependent responses resolved in free clusters: applications for neutral sub-nanometer cluster studies
Lauri Hautala, Kari Jänkälä, Mikko-Heikki Mikkelä, Maxim Tchaplyguine and Marko Huttula
Phys. Chem. Chem. Phys., Vol: 17, No: 10 , published: 14 March 2015
Proton-hydrogen collisions at low temperatures
Ming Li and Bo Gao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 10 March 2015
Electron-impact cross sections of SiH2 using the R-matrix method at low energy
Anand Bharadvaja, Savinder Kaur, and K. L. Baluja
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 09 March 2015
Sub-femtosecond quantum dynamics of the strong-field ionization of water to the [X with combining tilde]2B1 and Ã2A1 states of the cation
B. Jayachander Rao and A. J. C. Varandas
Phys. Chem. Chem. Phys., Vol: 17, No: 9 , published: 07 March 2015
Möbius–Hückel topology switching in an expanded porphyrin cation radical as studied by EPR and ENDOR spectroscopy
Klaus Möbius, Martin Plato, Gudrun Klihm, Christoph Laurich, Anton Savitsky, Wolfgang Lubitz, Bartosz Szyszko, Marcin Stępień and Lechosław Latos-Grażyński
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
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
Decomposition of fluorophosphoryl diazide: a joint experimental and theoretical study
Dingqing Li, Hongmin Li, Bifeng Zhu, Xiaoqing Zeng, Helge Willner, Helmut Beckers, Patrik Neuhaus, Dirk Grote and Wolfram Sander
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
Asymmetric bifurcated halogen bonds
Martin Novák, Cina Foroutan-Nejad and Radek Marek
Phys. Chem. Chem. Phys., Vol: 17, No: 9 , published: 07 March 2015
Theoretical characterization of the collective resonance states underlying the xenon giant dipole resonance
Yi-Jen Chen (陳怡蓁), Stefan Pabst, Antonia Karamatskou, and Robin Santra
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 3 , published: 04 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
Атомы щелочных металлов в сильных магнитных полях: “направляющие” атомные переходы задают характеристики всех переходов D1 -линии
А. Саргсян, Г. Ахумян, А. Папоян, Д. Саркисян
Письма в ЖЭТФ, Vol: 101, No: 5-6 , published: 01 March 2015
Расчеты химических сдвигов ЯМР 29Si органилсиланов в рамках теории функционала электронной плотности с учетом эффектов среды и релятивистских поправок
С. В. Федоров, Ю. Ю. Русаков, Л. Б. Кривдин
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 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
Квантово-химическое изучение механизмов органических реакций Сообщение 3.* Присоединение 1,3-пропандиола к цианацетиленовым спиртам
Е. А. Чиркина, Л. Б. Кривдин, А. Г. Малькина, Б. А. Трофимов
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
Экспериментальное и квантово-химическое исследование взаимодействия 2-метилоксирана с производными 5-алкил-6-(2,6-дигалогенбензил)-2-тиоксо-1,2-дигидропиримидин-4(3Н)-она
А. С. Яблоков, Д. В. Стегленко, Е. А. Ручко, М. Б. Навроцкий, Л. Л. Брунилина, И. А. Новаков, В. И. Минкин
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
Исследование структуры конформеров 3-(N-арил-N -ацетиламино)тропонов методами гетероядерной, двумерной, динамической спектроскопии ЯМР и рентгеноструктурным анализом
И. Г. Бородкина, А. А. Колодина, П. Б. Чепурной, Ю. А. Саяпин, Е. А. Гусаков, И. В. Дороган, Г. С. Бородкин, Г. В. Шилов, В. В. Ткачев
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
Gas-Phase Acidities of Aryl-Substituted Fluorinated Alkanes. The Nature of β-Fluorine Negative Hyperconjugation
Mustanir, José-Luis M. Abboud, Masaaki Mishima, Heinz F. Koch, Judith G. Koch
Bull. Chem. Soc. Jpn., Vol: 88, 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
Внутримолекулярные механизмы переключения спиновых состояний комплексов переходных металлов
В. И. Минкин, А. Г. Стариков
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
Квантово-химическое исследование биядерных сэндвичевых и полисэндвичевых производных щелочных и щелочноземельных металлов
Т. Н. Грибанова, О. А. Гапуренко, Р. М. Миняев, В. И. Минкин
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
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
Синтез тетраядерного разнолигандного комплекса CoII с пивалатом и ацетатом
Е. Ю. Фурсова, Г. В. Романенко, Р. З. Сагдеев, В. И. Овчаренко
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
Комплексы кобальта(II) с бис-2,4-[N-(S)-фенилаланил]-6-хлортриазином: синтез, строение и применение для разделения энантиомеров бутан-2-ола
Ю. А. Сацкая, Н. П. Комарова, К. С. Гавриленко, О. В. Манойленко, М. А. Кискин, С. В. Колотилов, И. Л. Еременко, В. М. Новоторцев
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
36-Ядерные диметилмалонатные комплексы CoII и NiII с катионными фрагментами [K(18-краун-6)]+: синтез и строение
Е. Н. Зорина-Тихонова, Н. В. Гоголева, А. А. Сидоров, М. А. Кискин, И. Л. Еременко
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
Влияние дополнительной функциональной группы на строение и свойства о-иминохиноновых комплексов меди(II) и никеля(II)
А. В. Пискунов, И. В. Ершова, М. В. Гуленова, К. И. Пашанова, А. С. Богомяков, И. В. Смолянинов, Г. К. Фукин, В. К. Черкасов
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
Новые 8-арил-8´-иодпроизводные бис(1,2-дикарболлид)кобальта
И. Д. Косенко, И. А. Лобанова, И. В. Ананьев, З. А. Старикова , Ю. Н. Ласькова, В. И. Брегадзе
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
Квантово-химические исследования пиримидин-4-онов. Сообщение 5*. Электронное строение и реакционная способность замещенных тиено[2,3-d]пиримидин-4-онов и их аналогов, аннелированных по грани b тиенопиримидинового фрагмента
М. Х. Мамарахмонов, Л. И. Беленький, Н. Д. Чувылкин, М. А. Аширматов, Б. Ж. Элмурадов, И. С. Ортиков, Х. М. Шахидоятов
Изв. РАН. Сер. хим., Vol: 2015, No: 3 , published: 01 March 2015
Nuclear recoil correction to the g factor of boron-like argon
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
A.A. Shchepetnov, D. A. Glazov, A. V. Volotka, V. M. Shabaev, I. I. Tupitsyn and G. Plunien
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
New spectroscopic data for atomic tungsten XIV
M. Raineri, J. R. Almandos, M. Gallardo and C. J. B. Pagan
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Laser spectroscopy of the ground-state hyperfine structure in H-like and Li-like bismuth
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
J. Vollbrecht, Z. Andelkovic, A. Dax, W. Geithner, C. Geppert, C. Gorges, M. Hammen, V. Hannen, S. Kaufmann, K. König, Y. Litvinov, M. Lochmann, B. Maass, J. Meisner, T. Murboeck, W. Nörtershäuser, R. Sánchez, S. Schmidt, M. Schmidt, M. Steck, T. Stöhlker, R. C. Thompson, J. Ullmann and C. Weinheimer
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Photoionization of diatomic molecules: effect of coulombic interactions
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
D. I. R. Boll and O. A. Fojón
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Above threshold ionization of Argon atoms by multicolor XUV radiation
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
R. Della Picca and E. Lindroth
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Plasmon excitation in valence shell photoelectron spectroscopy for PAHs
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
P. M. Mishra, L. Avaldi, P. Bolognesi, K. C. Prince, R. Richter and U. Kadhane
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Calculation of differential cross section for dielectronic recombination with one-electron uranium
K. N. Lyashchenko and O. Yu. Andreev
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Modeling ion-molecule collision using Monte Carlo simulation
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
P. M. Mishra and U. Kadhane
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Double ionization of helium by ion impact: second Born order treatment at the fully differential level
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
S. D. López, S. Otranto and C. R. Garibotti
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Electron impact excitation of Si II and Fe XIV
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
K. M. Aggarwal and F. P. Keenan
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Charge-sharing in fragmentation of nitrogen molecules in collision with highly charged ions
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
J. Matsumoto, H. Tezuka and H. Shiromaru
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Energy threshold in multiple ionization by electron or positron impact
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
C. C. Montanari and J. E. Miraglia
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Single electron ionization of NH3 and CH4 by swift proton impact
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
C. A. Tachino, J. M. Monti, O. A. Fojón, C. Champion and R. D. Rivarola
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Quantum interference of fast atoms scattered off crystal surfaces
17th International Conference on the Physics of Highly Charged Ions 31 August to 5 September 2014, San Carlos de Bariloche, Argentina
M. S. Gravielle
J. Phys.: Conf. Ser., Vol: 2015, No: 583 , published: 29 February 2015
Mechanisms of hydrogen bond formation between ionic liquids and cellulose and the influence of water content
Brooks D. Rabideau and Ahmed E. Ismail
Phys. Chem. Chem. Phys., Vol: 17, No: 8 , published: 28 February 2015
Topology of the magnetically induced current density and proton magnetic shielding in hydrogen bonded systems
Guglielmo Monaco, Paolo Della Porta, Mirosław Jabłoński and Riccardo Zanasi
Phys. Chem. Chem. Phys., Vol: 17, No: 8 , published: 28 February 2015
Extensive theoretical studies on two new members of the FOX-7 family: 5-(dinitromethylene)-1,4-dinitramino-tetrazole and 1,1′-dinitro-4,4′-diamino-5,5′-bitetrazole as energetic compounds
Piao He, Jian-Guo Zhang, Kun Wang, Xin Yin, Xin Jin and Tong-Lai Zhang
Phys. Chem. Chem. Phys., Vol: 17, No: 8 , published: 28 February 2015
Conformational dynamics of carbohydrates: Raman optical activity of D-glucuronic acid and N-acetyl-D-glucosamine using a combined molecular dynamics and quantum chemical approach
Shaun T. Mutter, François Zielinski, James R. Cheeseman, Christian Johannessen, Paul L. A. Popelier and Ewan W. Blanch
Phys. Chem. Chem. Phys., Vol: 17, No: 8 , published: 28 February 2015
Electron emission in ionization of He and Ne by fast dressed oxygen ions and projectile-charge-state dependence
Shubhadeep Biswas, S. Kasthurirangan, D. Misra, J. M. Monti, R. D. Rivarola, P. D. Fainstein, and L. C. Tribedi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 26 February 2015
Antiproton-impact ionization of Ne, Ar, Kr, Xe, and H2O
I. B. Abdurakhmanov, A. S. Kadyrov, D. V. Fursa, S. K. Avazbaev, J. J. Bailey, and I. Bray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 26 February 2015
Configuration-interaction many-body-perturbation-theory energy levels of four-valent Si i
I. M. Savukov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 25 February 2015
Tracking hole localization in K-shell and core-valence-excited acetylene photoionization via body-frame photoelectron angular distributions
T. N. Rescigno, C. S. Trevisan, and C. W. McCurdy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 25 February 2015
Relativistic extended-coupled-cluster method for the magnetic hyperfine structure constant
Sudip Sasmal, Himadri Pathak, Malaya K. Nayak, Nayana Vaval, and Sourav Pal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 23 February 2015
Selective Excitation with Asymmetric Adiabatic Pulses for NMR Spectroscopy
Huawei Liu and Shanmin Zhang
ChemPhysChem., Vol: 16, No: 3 , published: 23 February 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
Separation of Time-Resolved Phenomena in Surface-Enhanced Raman Scattering of the Photocatalytic Reduction of p-Nitrothiophenol
E. M. van Schrojenstein Lantman, P. de Peinder, A. J. G. Mank and B. M. Weckhuysen
ChemPhysChem., Vol: 16, No: 3 , published: 23 February 2015
Influence of Synthesis pH and Oxidative Strength of the Catalyzing Acid on the Morphology and Chemical Structure of Hydrothermal Carbon
Sylvia Reiche, Natalia Kowalew, Robert Schlögl
ChemPhysChem., Vol: 16, No: 3 , published: 23 February 2015
A molecular view of cisplatin's mode of action: interplay with DNA bases and acquired resistance
M. Paula M. Marques, Diego Gianolio, Giannantonio Cibin, John Tomkinson, Stewart F. Parker, Rosendo Valero, R. Pedro Lopes and Luis A. E. Batista de Carvalho
Phys. Chem. Chem. Phys., Vol: 17, No: 7 , published: 21 February 2015
Calculating nuclear magnetic resonance shieldings using systematic molecular fragmentation by annihilation
David M. Reid and Michael A. Collins
Phys. Chem. Chem. Phys., Vol: 17, No: 7 , published: 21 February 2015
Expansion dynamics of supercritical water probed by picosecond time-resolved photoelectron spectroscopy
Thomas Gladytz, Bernd Abel and Katrin R. Siefermann
Phys. Chem. Chem. Phys., Vol: 17, No: 7 , published: 21 February 2015
Geometry of the magic number H+(H2O)21 water cluster by proxy
Mauritz Johan Ryding, Róbert Izsák, Patrick Merlot, Simen Reine, Trygve Helgaker and Einar Uggerud
Phys. Chem. Chem. Phys., Vol: 17, No: 7 , published: 21 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
Native like helices in a specially designed β peptide in the gas phase
Franziska Schubert, Kevin Pagel, Mariana Rossi, Stephan Warnke, Mario Salwiczek, Beate Koksch, Gert von Helden, Volker Blum, Carsten Baldauf and Matthias Scheffler
Phys. Chem. Chem. Phys., Vol: 17, No: 7 , published: 21 February 2015
A slow, continuous beam of cold benzonitrile
David Patterson and John M. Doyle
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
A model study on the photochemical isomerization of cyclic silenes
Ming-Der Su
Phys. Chem. Chem. Phys., Vol: 17, No: 7 , published: 21 February 2015
Combined experimental and theoretical probe of the lifetime of the 3d2D5/2 state in 40Ca+
Hua Guan, Hu Shao, Yuan Qian, Yao Huang, Pei-Liang Liu, Wu Bian, Cheng-Bin Li, B. K. Sahoo, and Ke-Lin Gao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 18 February 2015
X-ray-photon scattering by an excited and ionized atom
Alexey N. Hopersky, Alexey M. Nadolinsky, Sergey A. Novikov, and Victor A. Yavna
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 17 February 2015
Fourier analysis of the nuclear flux density in diatomic molecules: A complementary tool to map potential-energy curves and to characterize vibrational wave functions
Jhon Fredy Pérez-Torres
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 17 February 2015
Lifetimes of 4p54d levels in highly ionized atoms
Gediminas Gaigalas, Pavel Rynkun, and Charlotte Froese Fischer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 17 February 2015
Precision calculation of low-energy electron-impact excitation cross sections of helium among the ground and excited states
De-Ling Zeng, Xiang Gao, Xiao-Ying Han, and Jia-Ming Li
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 17 February 2015
Planar pentacoordinate carbons in CBe54− derivatives
Rafael Grande-Aztatzi, José Luis Cabellos, Rafael Islas, Ivan Infante, José M. Mercero, Albeiro Restrepo and Gabriel Merino
Phys. Chem. Chem. Phys., Vol: 17, No: 6 , published: 14 February 2015
Dynamics of the A-band ultraviolet photodissociation of methyl iodide and ethyl iodide via velocity-map imaging with ‘universal’ detection
Sara H. Gardiner, M. Laura Lipciuc, Tolga N. V. Karsili, Michael N. R. Ashfold and Claire Vallance
Phys. Chem. Chem. Phys., Vol: 17, No: 6 , published: 14 February 2015
Transient anions of cis- and trans-cyclooctene studied by electron-impact spectroscopy
Khrystyna Regeta, Amit Nagarkar, Andreas F. M. Kilbinger and Michael Allan
Phys. Chem. Chem. Phys., Vol: 17, No: 6 , published: 14 February 2015
The modified quasi-quantum treatment of rotationally inelastic NO(X)–He scattering
Xia Zhang, Chris J. Eyles, Dajun Ding and Steven Stolte
Phys. Chem. Chem. Phys., Vol: 17, No: 6 , published: 14 February 2015
The shape of ibuprofen in the gas phase
Thomas Betz, Sabrina Zinn and Melanie Schnell
Phys. Chem. Chem. Phys., Vol: 17, No: 6 , published: 14 February 2015
Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO) bonded system
Svetlana Pylaeva, Christoph Allolio, Benjamin Koeppe, Gleb S. Denisov, Hans-Heinrich Limbach, Daniel Sebastiani and Peter M. Tolstoy
Phys. Chem. Chem. Phys., Vol: 17, No: 6 , published: 14 February 2015
Solution vs. gas phase relative stability of the choline/acetylcholine cavitand complexes
Hassan Abdoul-Carime, Bernadette Farizon, Michel Farizon, Jean-Christophe Mulatier, Jean-Pierre Dutasta and Henry Chermette
Phys. Chem. Chem. Phys., Vol: 17, No: 6 , published: 14 February 2015
Theoretical study on the torsional potential of alkyl, donor, and acceptor substituted bithiophene: the hidden role of noncovalent interaction and backbone conjugation
Tzu-Jen Lin and Shiang-Tai Lin
Phys. Chem. Chem. Phys., Vol: 17, No: 6 , published: 14 February 2015
Semiclassical description of high-order-harmonic spectroscopy of the Cooper minimum in krypton
F. Cloux, B. Fabre, and B. Pons
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 12 February 2015
Electron-atom resonances: The complex-scaled multiconfigurational spin-tensor electron propagator method for the 2PBe shape resonance problem
Tsogbayar Tsednee, Liyuan Liang, and Danny L. Yeager
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 11 February 2015
Magic distances in the blockade mechanism of Rydberg p and d states
B. Vermersch, A. W. Glaetzle, and P. Zoller
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 11 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
Spectroscopy of Ba and Ba+ deposits in solid xenon for barium tagging in nEXO
B. Mong et al. (nEXO Collaboration)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 10 February 2015
Correlation effects in La, Ce, and lanthanide ions
M. S. Safronova, U. I. Safronova, and Charles W. Clark
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 09 February 2015
Ligand effects in carbon-K-shell photoionization
S. Fonseca dos Santos, N. Douguet, A. E. Orel, and T. N. Rescigno
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 09 February 2015
Electron ionization dynamics of N2 and O2 molecules: Velocity-map imaging
James N. Bull, Jason W. L. Lee, and Claire Vallance
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 09 February 2015
Electron-capture-to-continuum cusp in U88++N2 collisions
P.-M. Hillenbrand, S. Hagmann, D. H. Jakubassa-Amundsen, J. M. Monti, D. Banaś, K.-H. Blumenhagen, C. Brandau, W. Chen, P. D. Fainstein, E. De Filippo, A. Gumberidze, D. L. Guo, M. Lestinsky, Yu. A. Litvinov, A. Müller, R. D. Rivarola, H. Rothard, S. Schippers, M. S. Schöffler, U. Spillmann, S. Trotsenko, X. L. Zhu, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 09 February 2015
Constrained control landscape for population transfer in a two-level system
Katharine Moore Tibbetts and Herschel Rabitz
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Fundamental frequency from classical molecular dynamics
Tomonori Yamada and Misako Aida
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
Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging
Dmitry V. Makhov, Kenichiro Saita, Todd J. Martinez and Dmitrii V. Shalashilin
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Electronic delocalization in small water rings
Bo Wang, Minsi Xin, Xing Dai, Ruixia Song, Yan Meng, Jie Han, Wanrun Jiang, Zhigang Wang and Ruiqin Zhang
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Fullerene-like boron clusters stabilized by an endohedrally doped iron atom: BnFe with n = 14, 16, 18 and 20
Nguyen Minh Tam, Hung Tan Pham, Long Van Duong, My Phuong Pham-Ho and Minh Tho Nguyen
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 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
Photoelectron spectroscopy and theoretical studies of anion–π interactions: binding strength and anion specificity
Jian Zhang, Bin Zhou, Zhen-Rong Sun and Xue-Bin Wang
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Pnicogen and hydrogen bonds: complexes between PH3X+ and PH2X systems
Ibon Alkorta, José Elguero and Sławomir J. Grabowski
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Voronoi dipole moments for the simulation of bulk phase vibrational spectra
Martin Thomas, Martin Brehm and Barbara Kirchner
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Resonance Raman detection of the myoglobin nitrito heme Fe–O–N—O/2-nitrovinyl species: implications for helix E-helix F interactions
Alexandra Lambrou and Eftychia Pinakoulaki
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Resonance and intercombination lines in Mg-like ions of atomic numbers Z=1392
Juan A. Santana and Elmar Träbert
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 05 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
H2O double ionization induced by electron impact
D. Oubaziz, M. A. Quinto, and C. Champion
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 05 February 2015
Hartree-Fock limit values of multipole moments, polarizabilities, and hyperpolarizabilities for atoms and diatomic molecules
Jacek Kobus
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 03 February 2015
Interaction between overlapping doubly excited resonance series for the He atom
T. N. Chang, T. K. Fang, and X. Gao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 2 , published: 03 February 2015
Strong suppression of positron-induced double ionization of helium at low-to-intermediate velocities
A. X. Yang, X. R. Zou, C. N. Lin, W. B. Liu, S. T. Niu, X. M. Chen, and J. X. Shao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, 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
Vibrational Circular Dichroism and Theoretical Study of the Conformational Equilibrium in (−)-S-Nicotine
Pilar Gema Rodríguez Ortega, Manuel Montejo, Juan Jesus López González
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Ionic Fragmentation Mechanisms of 2,2,2-Trifluoroethanol Following Excitation with Synchrotron Radiation
Yanina B. Bava, Yanina Berrueta Martínez, Angélica Moreno Betancourt, Mauricio F. Erben, Reinaldo L. Cavasso Filho, Carlos O. Della Védova, Rosana M. Romano
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Labeling Graphene Oxygen Groups with Europium
Adriano Ambrosi and Prof. Martin Pumera
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Modeling of Structural, Energetic, and Dynamic Properties of Few-Atom Silver Clusters Embedded in Polynucleotide Strands by Using Molecular Dynamics
Nicolas Staelens, Laurence Leherte, Benoît Champagne, Daniel P. Vercauteren
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Computational Insights into the Charge Relaying Properties of β-Turn Peptides in Protein Charge Transfers
Ru Zhang, Jinxiang Liu, Hongfang Yang, Shoushan Wang, Meng Zhang, Yuxiang Bu
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Theoretical Study of the Nontraditional Enol-Based Photoacidity of Firefly Oxyluciferin
Luís Pinto da Silva, Joaquim C. G. Esteves da Silva
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Studies of cross sections for collisions of electrons from hydride molecules: NH3 and PH3
Gurpreet Kaur, Arvind Kumar Jain, Harsh Mohan, Parjit S. Singh, Sunita Sharma, and A. N. Tripathi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, 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
Conformational Transformations of Sulfur-Containing Rings: 2-Methyltetrahydrothiophene Gas-Phase Structures
Vinh Van, Christina Dindic, Ha Vinh Lam Nguyen, Wolfgang Stahl
ChemPhysChem., Vol: 16, No: 2 , published: 02 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
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
Linear Free-Energy Relationships between a Single Gas-Phase Ab Initio Equilibrium Bond Length and Experimental pKa Values in Aqueous Solution
Ibon Alkorta, Paul L. A. Popelier
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Non-Ideal Mixing Behaviour of Hydrogen Bonding in Mixtures of Protic Ionic Liquids
Koichi Fumino, Anne-Marie Bonsa, Benjamin Golub, Dietmar Paschek, Ralf Ludwig
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Процессы ионизации атомов, находящихся в нестационарных состояниях, полем аттосекундного импульса
Д. Н. Макаров, В. И. Матвеев
Письма в ЖЭТФ, Vol: 101, No: 3 , 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
Лазерная УФ- и ИК-фрагментация свободных кластеров (СРЗ1) П в молекулярном пучке и кластеров (СРЗ1) П, находящихся внутри или на поверхности больших кластеров (Хе) Т
Апатин В.М., Лохман В.Н., Макаров Г.Н., Огурок Н.Д.Д., Петин А.Н., Рябов Е.А.
Ж. эксперим. и теор. физ., Vol: 147, No: 2 , published: 01 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
Роль дырочных дефектов в формировании активных центров катализатора дегидроароматизации метана
Е. В. Николаева, Н. А. Мамонов, Л. М. Кустов, М. Н. Михайлов
Изв. РАН. Сер. хим., Vol: 2015, No: 2 , published: 01 February 2015
N-Нитроимидоилхлориды: синтез и строение
О. В. Аникин, М. С. Кленов, А. М. Чураков, И. В. Ананьев, К. А. Лысенко, Ю. А. Стреленко, В. А. Тартаковский
Изв. РАН. Сер. хим., Vol: 2015, No: 2 , published: 01 February 2015
Синтез и структура 3-(трет-бутил)-10, 10-диметил - 10Н - индоло [1,2-а] индолин -1,4-диона
Саяпин Ю.А., Тупаева И.О., Гусаков Е.А., Шилов Г.В., Ткачев В.В., Алдошин С.М., Минкин В.И.
Докл. РАН, Vol: 460, No: 4 , published: 01 February 2015
Структура, магнитные и электрохимические свойства комплексов 3d-металлов — редокс-активных блоков для сборки координационных полимеров, а также пористого координационного полимера на их основе
А. С. Литвиненко, А. М. Мишура, В. Е. Титов, М. А. Кискин, С. Голхен, О. Кадор, С. В. Колотилов, Л. Уаб, И. Л. Еременко, В. М. Новоторцев
Изв. РАН. Сер. хим., Vol: 2015, No: 2 , published: 01 February 2015
Syntheses and Redox Properties of Complexes with Mo3S4 Cores and Tridentate Schiff Base Ligands
Keisuke Kawamoto, Akio Ichimura, Hideki Hashimoto, Isamu Kinoshita, Takanori Nishioka
Bull. Chem. Soc. Jpn., Vol: 88, No: 2 , published: 01 February 2015
Температурные эффекты в низкочастотных спектрах комбинационного рассеяния света кортикостероидных гормонов
Минаева В.А., Минаев Б.Ф., Барышников Г.В., Суровцев Н.В., Черкасова О.П., Ткаченко Л.И., Карауш Н.Н., Стромыло Е.В.
Оптика и спектроскопия, Vol: 118, 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
Contribution of high-nl shells to electron-impact ionization processes
V. Jonauskas, A. Kynienė, G. Merkelis, G. Gaigalas, R. Kisielius, S. Kučas, Š. Masys, L. Radžiūtė, and P. Rynkun
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 30 January 2015
Theoretical and experimental investigation of electron collisions with dimethyl sulfide
M. G. P. Homem, I. Iga, J. R. Ferraz, A. S. dos Santos, L. E. Machado, G. L. C. de Souza, L. M. Brescansin, R. R. Lucchese, and M.-T. Lee
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 30 January 2015
Robust quantum logic in neutral atoms via adiabatic Rydberg dressing
Tyler Keating, Robert L. Cook, Aaron M. Hankin, Yuan-Yu Jau, Grant W. Biedermann, and Ivan H. Deutsch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 28 January 2015
Photoionization of Fe7+ from the ground and metastable states
S. S. Tayal and O. Zatsarinny
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 26 January 2015
Cross sections for positron and electron collisions with an analog of the purine nucleobases: Indole
Luca Chiari, Antonio Zecca, Francisco Blanco, Gustavo García, and M. J. Brunger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 26 January 2015
Analytical evaluation of cross sections for double ionization of heliumlike ions by high-energy-photon scattering
A. I. Mikhailov and A. V. Nefiodov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 23 January 2015
Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. III. Case study of the beryllium dimer
Michał Lesiuk, Michał Przybytek, Monika Musiał, Bogumił Jeziorski, and Robert Moszynski
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 20 January 2015
Radiative lifetime of the 1S0 metastable state in doubly charged Kr ions
M. Saito, N. Ojima, S. Itoi, and Y. Haruyama
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 20 January 2015
Photoionization of the 3s23p43P and the 3s23p41D,1S states of sulfur: Experiment and theory
Mathias Barthel, Roman Flesch, Eckart Rühl, and Brendan M. McLaughlin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 20 January 2015
Electron-ion collision spectroscopy: Lithium-like xenon ions
D. Bernhardt, C. Brandau, Z. Harman, C. Kozhuharov, S. Böhm, F. Bosch, S. Fritzsche, J. Jacobi, S. Kieslich, H. Knopp, F. Nolden, W. Shi, Z. Stachura, M. Steck, Th. Stöhlker, S. Schippers, and A. Müller
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 20 January 2015
Lifetime measurement of the cesium 6P3/2 level using ultrafast pump-probe laser pulses
B. M. Patterson, J. F. Sell, T. Ehrenreich, M. A. Gearba, G. M. Brooke, J. Scoville, and R. J. Knize
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 15 January 2015
Lifetime measurement of the cesium 6P3/2 level using ultrafast pump-probe laser pulses
B. M. Patterson, J. F. Sell, T. Ehrenreich, M. A. Gearba, G. M. Brooke, J. Scoville, and R. J. Knize
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 15 January 2015
Reversing hydride-ion formation in quantum-information experiments with Be+
Brian C. Sawyer, Justin G. Bohnet, Joseph W. Britton, and John J. Bollinger
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 12 January 2015
Energy-sharing (e,2e) collisions: Ionization of the inert gases in the perpendicular plane
F. K. Miller, H. R. J. Walters, and Colm T. Whelan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 12 January 2015
Absolute cross sections for electronic excitation of furan by electron impact
Khrystyna Regeta and Michael Allan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 12 January 2015
Absolute cross sections for electronic excitation of furan by electron impact
Khrystyna Regeta and Michael Allan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 12 January 2015
Autoionization resonances in the neon isoelectronic sequence using relativistic multichannel quantum-defect theory
M. Nrisimhamurty, G. Aravind, P. C. Deshmukh, and S. T. Manson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 08 January 2015
Discrepancy between theory and experiment in double ionization of helium by fast electrons
M. J. Ambrosio, F. D. Colavecchia, D. M. Mitnik, and G. Gasaneo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 08 January 2015
Electron-impact dissociation of ozone cations to O+ fragments
D. S. Belic, X. Urbain, and P. Defrance
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 08 January 2015
Measured atomic ground-state polarizabilities of 35 metallic elements
Lei Ma, John Indergaard, Baiqian Zhang, Ilia Larkin, Ramiro Moro, and Walt A. de Heer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 07 January 2015
Measured atomic ground-state polarizabilities of 35 metallic elements
Lei Ma, John Indergaard, Baiqian Zhang, Ilia Larkin, Ramiro Moro, and Walt A. de Heer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 07 January 2015
Electron-correlation effects on the 3C to 3D line-intensity ratio in the Ne-like ions Ar8+ to Kr26+
Juan A. Santana, Jaan K. Lepson, Elmar Träbert, and Peter Beiersdorfer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 07 January 2015
Dissociative electron attachment and electron-impact resonant dissociation of vibrationally excited O2 molecules
V. Laporta, R. Celiberto, and J. Tennyson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 91, No: 1 , published: 05 January 2015
Современное развитие теории нелинейной ионизации атомов и ионов
Б. М. Карнаков, В. Д. Мур, С. В. Попруженко, В. С. Попов
Успехи физ. наук, Vol: 185, No: 1 , published: 01 January 2015
Неэмпирическое исследование молекул дигалогенидов иттербия
Соломоник В.Г., Смирнов А.Н., Старостин Е.В.
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
Supramolecularly Engineered Functional π-Assemblies Based on Complementary Hydrogen-Bonding Interactions
Shiki Yagai
Bull. Chem. Soc. Jpn., Vol: 88, No: 1 , published: 01 January 2015
Electron collision cross sections of CHF3 and electron transport in CHF3 and CHF3–Ar mixtures
Satoru Kawaguchi, Kohki Satoh, Hidenori Itoh
Jpn. J. Appl. Phys., Part 1, Vol: 54, No: 1S , published: 01 January 2015
Молекулярная структура и энтальпия сублимации 2,4,6,8-тетра-метилгликольурила - лекарственного препарата «Мебикар»
Абросимов В.К., Краснов А.В., Жабанов Ю.А., Иванов Е.В.
Изв. вузов. Химия и хим. технол., Vol: 58, No: 1 , published: 01 January 2015
Геминальные системы. Сообщение 64.* N-Алкокси-N-хлормочевины и N,N-диалкоксимочевины
В. Г. Штамбург, Р. Г. Костяновский, А. В. Цыганков, В. В. Штамбург, О. В. Шишкин, Р. И. Зубатюк, А. В. Мазепа, С. В. Кравченко
Изв. РАН. Сер. хим., Vol: 2015, No: 1 , published: 01 January 2015
Фосфорилсодержащие кислотные поданды как экстрагенты для извлечения f-элементов Сообщение 1. Синтез и сопоставление подандов, различающихся длиной и строением полиэфирной цепочки
А. М. Сафиулина, А. Г. Матвеева, Д. В. Иванец, Е. М. Кудрявцев, М. С. Григорьев, В. Е. Баулин, А. Ю. Цивадзе
Изв. РАН. Сер. хим., Vol: 2015, No: 1 , published: 01 January 2015
Неожиданное образование Р-илида при реакции азида замещенного 1,4-бензодиазепина с трициклогексилфосфином
Ю. Г. Гололобов, И. Ю. Краснова, С. В. Барабанов, И. В. Федянин, С. А. Андронати, В. И. Павловский
Изв. РАН. Сер. хим., Vol: 2015, No: 1 , published: 01 January 2015
Галогенпроизводные гепта(метоксикарбонил)циклогептатриена
Д. Н. Платонов, Г. П. Оконнишникова, А. А. Левина, Ю. В. Томилов
Изв. РАН. Сер. хим., Vol: 2015, 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
Аценафтен-1,2-дииминовые комплексы европия: поиск редокс-изомеров
И. Л. Федюшкин, А. А. Скатова, Д. С. Ямбулатов, А. В. Черкасов, С. В. Демешко
Изв. РАН. Сер. хим., Vol: 2015, No: 1 , published: 01 January 2015
Новый тип карбеновых комплексов рутения с N-хелатирующим лигандом
Н. М. Щеглова, В. Д. Колесник, Р. В. Ашировa Е. А. Краснокутская
Изв. РАН. Сер. хим., Vol: 2015, No: 1 , published: 01 January 2015
Циклопалладиевый комплекс 1-ферроценилизохинолина
Л. А. Булыгина, Н. С. Хрущева, А. С. Перегудов, В. И. Соколов
Изв. РАН. Сер. хим., Vol: 2015, No: 1 , published: 01 January 2015
Исследование взаимодействия фрагментов коллагена с ионами кальция на основе квантово-химических расчетов структуры модельных комплексов
Р. М. Аминова, Л. Ф. Галиуллина, В. В. Клочков, А. В. Аганов
Изв. РАН. Сер. хим., Vol: 2015, No: 1 , published: 01 January 2015
Новый тип координации фосфора с аналогами карбенов. p(π)-Комплекс 3a,6a-диаза-1,4-дифосфапенталена с дихлоридом германия
А. Н. Корнев, В. В. Сущев, Н. В. Золотарева, А. В. Арапова, В. Е. Гальперин, А. В. Черкасов, Г. А. Абакумов
Изв. РАН. Сер. хим., Vol: 2015, No: 1 , published: 01 January 2015
Теоретическое моделирование фотоуправляемого спин-кроссовера в фенантролиновых комплексах Fe(II)
Старикова А.А., Миняев Р.М., Стариков А.Г., Минкин В.И.
Докл. РАН, Vol: 460, No: 1 , published: 01 January 2015
Simultaneous Enhancement of Cs-Adsorption and Magnetic Properties of Prussian Blue by Thermal Partial Oxidation
Akira Takahashi, Hisashi Tanaka, Nobutsugu Minami, Masato Kurihara, Tohru Kawamoto
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
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
Синтез глицидиловых эфиров α-аминооксимов терпенового ряда и β-замещенных спиртов на их основе
Т. А. Шумилова, А. М. Агафонцев, А. В. Ткачев
Изв. РАН. Сер. хим., Vol: 2015, No: 1 , published: 01 January 2015
Нитрозамещенные бис(метил-ONN-азоксифуразанил)фуроксаны
О. А. Лукьянов, Г. В. Похвиснева, Т. В. Терникова
Изв. РАН. Сер. хим., Vol: 2015, No: 1 , published: 01 January 2015
Применение метода гигантского комбинационного рассеяния для детектирования водорастворимых производных фуллеренов C60 и их ковалентных конъюгатов с красителями
Полетаева Д.А., Хакина Е.А., Кукушкин В.И., Рыбкин А.Ю., Горячев Н.С., Белик А.Ю., Жиленков А.В., Трошин П.А., Котельникова Р.А., Котельников А.И.
Докл. РАН, Vol: 460, 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
Angular-momentum couplings in long-range Rb2 Rydberg molecules
D. A. Anderson, S. A. Miller, and G. Raithel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 31 December 2014
Mechanism for electron emission and exciton formation during collisions of neutral hydrogens with a LiF(001) surface
J. E. Miraglia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 31 December 2014
QED calculation of the ground-state energy of berylliumlike ions
A. V. Malyshev, A. V. Volotka, D. A. Glazov, I. I. Tupitsyn, V. M. Shabaev, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 30 December 2014
QED calculation of the ground-state energy of berylliumlike ions
A. V. Malyshev, A. V. Volotka, D. A. Glazov, I. I. Tupitsyn, V. M. Shabaev, and G. Plunien
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 30 December 2014
Quantum optimal control theory applied to transitions in diatomic molecules
Marius Lysebo and Leif Veseth
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 29 December 2014
Zeeman-splitting-assisted quantum-logic spectroscopy of trapped ions
Huanqian Loh, Shiqian Ding, Roland Hablutzel, Gleb Maslennikov, and Dzmitry Matsukevich
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 29 December 2014
Effect of the short-range interaction on low-energy collisions of ultracold dipoles
Peng Zhang and Jianwen Jie
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 29 December 2014
The protonated and sodiated dimers of proline studied by IRMPD spectroscopy in the N–H and O–H stretching region and computational methods
Yasaman Jami Alahmadi, Ameneh Gholami and Travis D. Fridgen
Phys. Chem. Chem. Phys., Vol: 16, No: 48 , published: 28 December 2014
The role of the glassy dynamics and thermal mixing in the dynamic nuclear polarization and relaxation mechanisms of pyruvic acid
M. Filibian, S. Colombo Serra, M. Moscardini, A. Rosso, F. Tedoldi and P. Carretta
Phys. Chem. Chem. Phys., Vol: 16, No: 48 , published: 28 December 2014
Structure and magnetic properties of (Fe2O3)n clusters (n = 1–5)
A. Erlebach, C. Hühn, R. Jana and M. Sierka
Phys. Chem. Chem. Phys., Vol: 16, No: 48 , published: 28 December 2014
Copper clusters as novel fluorescent probes for the detection and photocatalytic elimination of lead ions
N. Vilar-Vidal, J. Rivas and M. A. López-Quintela
Phys. Chem. Chem. Phys., Vol: 16, No: 48 , published: 28 December 2014
Ab initio and metadynamics studies on the role of essential functional groups in biomineralization of calcium carbonate and environmental situations
Moumita Saharay and R. James Kirkpatrick
Phys. Chem. Chem. Phys., Vol: 16, No: 48 , published: 28 December 2014
A novel photo-responsive azobenzene-containing nanoring host for fullerene-guest facile encapsulation and release
Kun Yuan, Yi-Jun Guo and Xiang Zhao
Phys. Chem. Chem. Phys., Vol: 16, No: 48 , published: 28 December 2014
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
Hydrodynamical interpretation of angular momentum and energy transfer in atomic processes
S. Y. Ovchinnikov, J. H. Macek, and D. R. Schultz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 24 December 2014
High-order nonlinear refractive indices for He, Ne, Kr, and Xe atoms
M. Tarazkar, D. A. Romanov, and R. J. Levis
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 22 December 2014
Trajectory-based nonadiabatic molecular dynamics without calculating nonadiabatic coupling in the avoided crossing case: transcis photoisomerization in azobenzene
Le Yu, Chao Xu, Yibo Lei, Chaoyuan Zhu and Zhenyi Wen
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
Rotationally resolved water dimer spectra in atmospheric air and pure water vapour in the 188–258 GHz range
E. A. Serov, M. A. Koshelev, T. A. Odintsova, V. V. Parshin and M. Yu. Tretyakov
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
Identification of hyperhalogens in Agn(BO2)m (n = 1–3, m = 1–2) clusters: anion photoelectron spectroscopy and density functional calculations
Xiang-Yu Kong, Hong-Guang Xu, Pratik Koirala, Wei-Jun Zheng, Anil K. Kandalam and Puru Jena
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
Imaging the stereodynamics of methyl iodide photodissociation in the second absorption band: fragment polarization and the interplay between direct and predissociation
Marta G. González, Javier D. Rodríguez, Luis Rubio-Lago and Luis Bañares
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
Donors contribute more than acceptors to increase the two-photon activity – a case study with cyclopenta[b]naphthalene based molecules
Md. Mehboob Alam
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
Hydrogen-bond structure and anharmonicity in croconic acid
Sanghamitra Mukhopadhyay, Matthias Gutmann and Felix Fernandez-Alonso
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 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
Hydration of the cyanide ion: an ab initio quantum mechanical charge field molecular dynamics study
Syed Tarique Moin and Thomas S. Hofer
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
Encapsulation of diatomic molecules in fullerene C60: implications for their main properties
Grygoriy A. Dolgonos and Gilles H. Peslherbe
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
Electrochemical setup – a unique chance to simultaneously control orbital energies and vibrational properties of single-molecule junctions with unprecedented efficiency
Ioan Bâldea
Phys. Chem. Chem. Phys., Vol: 16, No: 47 , published: 21 December 2014
Formation of deeply bound ultracold LiRb molecules via photoassociation near the Li 2S1/2+Rb 5P3/2 asymptote
John Lorenz, Adeel Altaf, Sourav Dutta, Yong P. Chen, and D. S. Elliott
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 19 December 2014
Relativistic calculations of double K-shell-photoionization cross sections for neutral medium-Z atoms
V. A. Yerokhin, A. Surzhykov, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 19 December 2014
Relativistic calculations of the isotope shifts in highly charged Li-like ions
N. A. Zubova, Y. S. Kozhedub, V. M. Shabaev, I. I. Tupitsyn, A. V. Volotka, G. Plunien, C. Brandau, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 17 December 2014
Measurement of the branching fractions and lifetime of the 5D5/2 level of Ba+
Carolyn Auchter, Thomas W. Noel, Matthew R. Hoffman, Spencer R. Williams, and Boris B. Blinov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 17 December 2014
Correlation between multiple ionization and fragmentation of C2H6 in charge-changing collisions with 580keVC+
T. Majima, T. Murai, T. Kishimoto, Y. Adachi, S. O. Yoshida, H. Tsuchida, and A. Itoh
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 17 December 2014
Approximate forms of the pair-density-functional kinetic energy on the basis of a rigorous expression with coupling-constant integration
Katsuhiko Higuchi and Masahiko Higuchi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 15 December 2014
Differential cross sections for single ionization of Li in collisions with fast protons and O8+ ions
L. Gulyás, S. Egri, and T. Kirchner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 15 December 2014
Predicting bond strength from a single Hartree–Fock ground state using the localized pair model
Dylan C. Hennessey, Brendan J. H. Sheppard, Dalton E. C. K. Mackenzie and Jason K. Pearson
Phys. Chem. Chem. Phys., Vol: 16, No: 46 , published: 14 December 2014
Highly efficient green-light ionization of an aryl radical anion: key step in a catalytic cycle of electron formation
Christoph Kerzig and Martin Goez
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
Investigation of ESIPT in a panel of chromophores presenting N–HN intramolecular hydrogen bonds
Pierre O. Hubin, Adèle D. Laurent, Daniel P. Vercauteren and Denis Jacquemin
Phys. Chem. Chem. Phys., Vol: 16, No: 46 , published: 14 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
A perspective on chemistry in transient plasma from broadband rotational spectroscopy
Daniel P. Zaleski, Susanna L. Stephens and Nicholas R. Walker
Phys. Chem. Chem. Phys., Vol: 16, No: 46 , published: 14 December 2014
Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes
Arghya Dey, Sohidul Islam Mondal, Saumik Sen, Debashree Ghosh and G. Naresh Patwari
Phys. Chem. Chem. Phys., Vol: 16, No: 46 , published: 14 December 2014
A comprehensive study of isomerization and protonation reactions in the photocycle of the photoactive yellow protein
Lili Wei, Hongjuan Wang, Xuebo Chen, Weihai Fang and Haobin Wang
Phys. Chem. Chem. Phys., Vol: 16, No: 46 , published: 14 December 2014
Effect of a vortex in the triply differential cross section for electron-impact K-shell ionization of carbon
S. J. Ward and J. H. Macek
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 12 December 2014
X-ray emission produced in charge-exchange collisions between highly charged ions and argon: Role of the multiple electron capture
S. Otranto, N. D. Cariatore, and R. E. Olson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 12 December 2014
Exact results for models of multichannel quantum nonadiabatic transitions
N. A. Sinitsyn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 11 December 2014
Quantum beat spectroscopy: Stimulated emission probe of hyperfine quantum beats in the atomic Cs 8p2P3/2 level
S. B. Bayram, P. Arndt, O. I. Popov, C. Güney, W. P. Boyle, M. D. Havey, and J. McFarland
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 11 December 2014
Collisional trap losses of cold magnetically trapped Br atoms
J. Lam, C. J. Rennick, and T. P. Softley
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 11 December 2014
Antioxidant Activity of Heterocyclic Chalcones
Yordanka Ivanova, Miglena Valyova, Ivan Genov, Mariana Gerova, Stanimir Stoyanov, Ognyan Petrov
Докл. Бълг. АН, Vol: 67, No: 12 , published: 10 December 2014
Time-dependent generalized-active-space configuration-interaction approach to photoionization dynamics of atoms and molecules
S. Bauch, L. K. Sørensen, and L. B. Madsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 09 December 2014
Prediction of a weakly bound excited state of Efimov character in a Li7He24 system
Meng-Shan Wu, Hui-Li Han, Cheng-Bin Li, and Ting-Yun Shi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 08 December 2014
Behavior of relative state selective photoionization cross sections of RbBr molecules in the valence region
A. Karpenko, D. Iablonskyi, S. Urpelainen, and H. Aksela
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 08 December 2014
Theoretical and experimental (e,2e) study of electron-impact ionization of laser-aligned Mg atoms
Sadek Amami, Andrew Murray, Al Stauffer, Kate Nixon, Gregory Armstrong, James Colgan, and Don Madison
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 08 December 2014
Time-dependent calculations of transfer ionization by fast proton-helium collision in one-dimensional kinematics
Vladislav V. Serov and A. S. Kheifets
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 08 December 2014
Field-ionization threshold and its induced ionization-window phenomenon for Rydberg atoms in a short single-cycle pulse
B. C. Yang and F. Robicheaux
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 05 December 2014
Forward- and backward-scattering quantum orbits in above-threshold ionization
D. B. Milošević
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 05 December 2014
Branching ratios and radiative lifetimes of the U, L, and I states of thorium oxide
Damian L. Kokkin, Timothy C. Steimle, and David DeMille
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 04 December 2014
Fragmentation of CO22+ in collisions with low-energy electrons
X. Wang, Y. Zhang, D. Lu, G. C. Lu, B. Wei, B. H. Zhang, Y. J. Tang, R. Hutton, and Y. Zou
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 03 December 2014
Collective effects in linear spectroscopy of dipole-coupled molecular arrays
A. A. Kocherzhenko, J. Dawlaty, B. P. Abolins, F. Herrera, D. B. Abraham, and K. B. Whaley
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 02 December 2014
Electron collisions with ammonia and formamide in the low- and intermediate-energy ranges
M. G. P. Homem, I. Iga, G. L. C. de Souza, A. I. Zanelato, L. E. Machado, J. R. Ferraz, A. S. dos Santos, L. M. Brescansin, R. R. Lucchese, and M.-T. Lee
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 02 December 2014
Photodetachment cross sections of the C2nH (n=13) hydrocarbon-chain anions
Nicolas Douguet, Viatcheslav Kokoouline, and Ann E. Orel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 02 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
Quantum defect theory for cold chemistry with product-quantum-state resolution
Jisha Hazra, Brandon P. Ruzic, John L. Bohn, and N. Balakrishnan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 01 December 2014
Misleading Classification of Isomers and Stereoisomers in Organic Chemistry
Shinsaku Fujita
Bull. Chem. Soc. Jpn., Vol: 87, No: 12 , published: 01 December 2014
Theoretical Study on the Relationship between the Geometric Change and the s–p Hybridization Formation of LiAln Clusters (n = 3–13)
Chiaki Ishibashi, Hidenori Matsuzawa
Bull. Chem. Soc. Jpn., Vol: 87, No: 12 , published: 01 December 2014
Photoionization cross sections of the aluminumlike Si+ ion in the region of the 2p threshold (94–137 eV)
E. T. Kennedy, J.-P. Mosnier, P. Van Kampen, D. Cubaynes, S. Guilbaud, C. Blancard, B. M. McLaughlin, and J.-M. Bizau
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 01 December 2014
Scaling behavior of a very large magneto-optical trap
A. Camara, R. Kaiser, and G. Labeyrie
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 01 December 2014
Ionization and excitation of the excited hydrogen atom in strong circularly polarized laser fields
Jarosław H. Bauer, Francisca Mota-Furtado, Patrick F. O'Mahony, Bernard Piraux, and Krzysztof Warda
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 01 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
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
Theoretical study of electronic excitation, ion-pair formation, and mutual neutralization in cesium-hydrogen collisions
Andrey K. Belyaev, Bruno Lepetit, and Florent Xavier Gadéa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 01 December 2014
Diabatic ion cooling by phonon swapping during controlled collision
Hoi-Kwan Lau
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 01 December 2014
Atomic-number dependence of the magnetic-sublevel population in the autoionization state formed in dielectronic recombination
Zhimin Hu, Yueming Li, Xiaoying Han, Daiji Kato, Xiaomin Tong, Hirofumi Watanabe, and Nobuyuki Nakamura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 6 , published: 01 December 2014
О передаче момента импульса при возбуждении электронных состояний молекул электронами разных энергий
С. Н. Андреев, В. Н. Очкин, С.Ю. Савинов, С. Н. Цхай
Кpатк. сообщ. по физ. ФИAН, Vol: 2014, No: 12 , published: 01 December 2014
Теоретическое и экспериментальное исследование строения протонированных форм 3-пиридилзамещенных 5-амино-1H-1,2,4-триазолов
В. М. Чернышев, А. В. Aстахов, В. Б. Рыбаков, А. В. Чернышева, Е. В. Тарасова
Изв. РАН. Сер. хим., Vol: 2014, No: 12 , published: 01 December 2014
Внутримолекулярная стабилизация силиленового центра за счет донорно-акцепторного взаимодействия с валентно несвязанным атомом азота. Теоретическое рассмотрение
С. С. Рынин, С. Е. Боганов, С. С. Карлов, М. П. Егоров
Изв. РАН. Сер. хим., Vol: 2014, No: 12 , 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
Модифицированный подход к синтезу серебряных комплексов карбенов Ардуэнго
Чон Тянь, Ваньли Не, Цяо Чень, Гуофен Сунь, М. В. Борзов
Изв. РАН. Сер. хим., Vol: 2014, No: 12 , published: 01 December 2014
Влияние геометрических параметров аниона замещенной малоновой кислоты на координационное окружение атомов CuII, связанных с 2,2´;6´,2″-терпиридином
Н. В. Гоголева, Е. Н. Зорина-Тихонова, М. А. Кискин, А. А. Сидоров, И. Л. Еременко
Изв. РАН. Сер. хим., Vol: 2014, No: 12 , 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
Almost Enclosed Buckyball Joints: Synthesis, Complex Formation, and Computational Simulations of Pentypticene-Extended Tribenzotriquinacene
Stefan Henne, Björn Bredenkötter, Mohammad Alaghemandi, Sareeya Bureekaew, Rochus Schmid, Dirk Volkmer
ChemPhysChem., Vol: 15, No: 17 , published: 01 December 2014
Колебательные спектры метановых гидратов
Гиричева Н.И., Ищенко А.А., Юсупов В.И., Баграташвили В.Н., Гиричев Г.В.
Изв. вузов. Химия и хим. технол., Vol: 57, No: 12 , 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
Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures
Stefanie A. Bäppler, Felix Plasser, Michael Wormit, and Andreas Dreuw
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 26 November 2014
Observation of highly disparate K-shell x-ray spectra produced by charge exchange with bare mid-Z ions
Gabriele L. Betancourt-Martinez, Peter Beiersdorfer, Gregory V. Brown, Richard L. Kelley, Caroline A. Kilbourne, Dimitra Koutroumpa, Maurice A. Leutenegger, and F. Scott Porter
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 26 November 2014
Approach towards the critical charge of some excited states of the Be isoelectronic series
Jacob Katriel, J. P. Marques, P. Indelicato, A. M. Costa, M. C. Martins, J. P. Santos, and F. Parente
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 25 November 2014
Empirical formulas for direct double ionization by bare ions: Z=1 to 92
R. D. DuBois, A. C. F. Santos, and S. T. Manson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 25 November 2014
Single-color two-photon spectroscopy of Rydberg states in electric fields
T. E. Wall, D. B. Cassidy, and S. D. Hogan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 25 November 2014
Relativistic polarizabilities with the Lagrange-mesh method
Livio Filippin, Michel Godefroid, and Daniel Baye
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 25 November 2014
Kinematically complete study of electron transfer and rearrangement processes in slow Ar16+-Ne collisions
Y. Xue, R. Ginzel, A. Krauß, S. Bernitt, M. Schöffler, K. U. Kühnel, J. R. Crespo López-Urrutia, R. Moshammer, X. Cai, J. Ullrich, and D. Fischer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 24 November 2014
Photoisomerization and structural dynamics of two nitrosylruthenium complexes: a joint study by NMR and nonlinear IR spectroscopies
Jianru Wang, Fan Yang, Yan Zhao, Pengyun Yu, Xiaoyan Qiao, Jianping Wang and Hongfei Wang
Phys. Chem. Chem. Phys., Vol: 16, No: 43 , published: 21 November 2014
Simple model of a Feshbach resonance in the strong-coupling regime
T. Wasak, M. Krych, Z. Idziaszek, M. Trippenbach, Y. Avishai, and Y. B. Band
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 21 November 2014
Single-molecule surface-enhanced Raman spectroscopy with nanowatt excitation
Brendan L. Darby, Pablo G. Etchegoin and Eric C. Le Ru
Phys. Chem. Chem. Phys., Vol: 16, No: 43 , published: 21 November 2014
o-Benzyne fragmentation and isomerization pathways: a CASPT2 study
Giovanni Ghigo, Andrea Maranzana and Glauco Tonachini
Phys. Chem. Chem. Phys., Vol: 16, No: 43 , published: 21 November 2014
Ab initio non-Born-Oppenheimer simulations of rescattering dissociation of H2 in strong infrared laser fields
Zhi-Chao Li and Feng He
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 20 November 2014
Positronium-atom scattering at low energies
I. I. Fabrikant and G. F. Gribakin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 20 November 2014
Forbidden-line spectroscopy of the ground-state configuration of Cd-like W
Z. Fei, W. Li, J. Grumer, Z. Shi, R. Zhao, T. Brage, S. Huldt, K. Yao, R. Hutton, and Y. Zou
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 19 November 2014
Laser–radio-frequency double-resonance spectroscopy of 8487Rb isotopes trapped in superfluid helium
Xiaofei Yang et al.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 19 November 2014
Universality in Efimov-associated tetramers in He4
E. Hiyama and M. Kamimura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 18 November 2014
Relativistic calculations of C6 and C8 coefficients for strontium dimers
S. G. Porsev, M. S. Safronova, and Charles W. Clark
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 18 November 2014
Determination of small level splittings in highly charged ions via angle-resolved measurements of characteristic x rays
Z. W. Wu, N. M. Kabachnik, A. Surzhykov, C. Z. Dong, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 18 November 2014
Ab initio study of radium monofluoride (RaF) as a candidate to search for parity- and time-and-parity–violation effects
A. D. Kudashov, A. N. Petrov, L. V. Skripnikov, N. S. Mosyagin, T. A. Isaev, R. Berger, and A. V. Titov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 17 November 2014
Energy and angular distribution of electrons in ionization of He and Ne by 6-MeV/u bare carbon ions: Comparison with continuum-distorted-wave eikonal-initial-state calculations in prior and post forms
Shubhadeep Biswas, D. Misra, J. M. Monti, C. A. Tachino, R. D. Rivarola, and L. C. Tribedi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 17 November 2014
Упругое рассеяние атома кислорода на атоме кремния в диапазоне относительных кинетических энергий 10-500 eV
Сычева А.А., Balint-Kurti G.G., Палов А.П.
Письма в ЖТФ, Vol: 40, No: 22 , published: 15 November 2014
Scaling in the correlation energies of atomic ions
A. Odriazola, A. González, and E. Räsänen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 14 November 2014
Where does the Raman optical activity of [Rh(en)3]3+ come from? Insight from a combined experimental and theoretical approach
Marie Humbert-Droz, Patric Oulevey, Latévi Max Lawson Daku, Sandra Luber, Hans Hagemann and Thomas Bürgi
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 2014
Hydrogen bonding, halogen bonding and lithium bonding: an atoms in molecules and natural bond orbital perspective towards conservation of total bond order, inter- and intra-molecular bonding
Abhishek Shahi and Elangannan Arunan
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 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
Molecular hydration of propofol dimers in supersonic expansions: formation of active centre-like structures
Iker León, Judith Millán, Emilio J. Cocinero, Alberto Lesarri and José A. Fernández
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 2014
Hydrogen-bond memory and water-skin supersolidity resolving the Mpemba paradox
Xi Zhang, Yongli Huang, Zengsheng Ma, Yichun Zhou, Ji Zhou, Weitao Zheng, Qing Jiang and Chang Q. Sun
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 2014
Car–Parrinello and path integral molecular dynamics study of the intramolecular hydrogen bonds in the crystals of benzoylacetone and dideuterobenzoylacetone
Piotr Durlak and Zdzisław Latajka
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 2014
Scattering theory, multiparticle detection, and time
John S. Briggs and James M. Feagin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 14 November 2014
Interaction of low-energy electrons with dimethyl sulfide and dimethyl disulfide
J. S. dos Santos, F. Kossoski, and M. T. do N. Varella
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 14 November 2014
Capture of heliophobic atoms by 4He nanodroplets: the case of cesium
Antonio Leal, David Mateo, Alberto Hernando, Martí Pi and Manuel Barranco
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 2014
The shape of D-glucosamine
Isabel Peña, Lucie Kolesniková, Carlos Cabezas, Celina Bermúdez, Matías Berdakin, Alcides Simão and José L. Alonso
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 2014
Why does the IR spectrum of hydroxide stretching vibration weaken with increase in hydration?
Masato Morita, Hirokazu Takahashi, Satoshi Yabushita and Kaito Takahashi
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 2014
Atomic charge transfer-counter polarization effects determine infrared CH intensities of hydrocarbons: a quantum theory of atoms in molecules model
Arnaldo F. Silva, Wagner E. Richter, Helen G. C. Meneses and Roy E. Bruns
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 2014
Barrierless tautomerization of Criegee intermediates via acid catalysis
Manoj Kumar, Daryle H. Busch, Bala Subramaniam and Ward H. Thompson
Phys. Chem. Chem. Phys., Vol: 16, No: 42 , published: 14 November 2014
Atomic properties of Cd-like and Sn-like ions for the development of frequency standards and search for the variation of the fine-structure constant
M. S. Safronova, V. A. Dzuba, V. V. Flambaum, U. I. Safronova, S. G. Porsev, and M. G. Kozlov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 13 November 2014
Magic wavelengths for the 23S21S transition in helium
R. P. M. J. W. Notermans, R. J. Rengelink, K. A. H. van Leeuwen, and W. Vassen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 13 November 2014
Permanent electric dipole moment of strontium monofluoride as a test of the accuracy of a relativistic coupled-cluster method
V. S. Prasannaa, M. Abe, and B. P. Das
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 12 November 2014
Fully differential study of interference effects in the ionization of H2 by proton impact
S. Sharma, T. P. Arthanayaka, A. Hasan, B. R. Lamichhane, J. Remolina, A. Smith, and M. Schulz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 12 November 2014
Application of the many-electron weak-field asymptotic theory of tunneling ionization to atoms
Inga Yu. Tolstikhina, Toru Morishita, and Oleg I. Tolstikhin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 11 November 2014
Coriolis interaction and the division of energy between vibrational and rotational excitation induced by photoelectron recoil
T. Darrah Thomas
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 10 November 2014
Laser cooling of the alkaline-earth-metal monohydrides: Insights from an ab initio theory study
Yufeng Gao and Tao Gao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 10 November 2014
Determination of the hyperfine structure constants of the Rb87 and Rb85 4D5/2 state and the isotope hyperfine anomaly
Jie Wang, Huifeng Liu, Guang Yang, Baodong Yang, and Junmin Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 10 November 2014
Absolute configuration assignment of a chiral molecule in the gas phase using foil-induced Coulomb explosion imaging
Philipp Herwig, Kerstin Zawatzky, Dirk Schwalm, Manfred Grieser, Oded Heber, Brandon Jordon-Thaden, Claude Krantz, Oldřich Novotný, Roland Repnow, Volker Schurig, Zeev Vager, Andreas Wolf, Oliver Trapp, and Holger Kreckel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 10 November 2014
Distinction between sequential and direct ionization in two-photon double ionization of helium
Sølve Selstø, Xavier Raynaud, Aleksander Skjerlie Simonsen, and Morten Førre
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 10 November 2014
Dissociative recombination of N2+: An ab initio study
D. A. Little, K. Chakrabarti, J. Zs. Mezei, I. F. Schneider, and J. Tennyson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 10 November 2014
Ionization of helium by slow antiproton impact: Total and differential cross sections
S. Borbély, J. Feist, K. Tőkési, S. Nagele, L. Nagy, and J. Burgdörfer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 10 November 2014
Measurement and calculation of absolute single- and double-charge-exchange cross sections for O6+ ions at 1.17 and 2.33 keV/u impacting He and H2
J. R. Machacek, D. P. Mahapatra, D. R. Schultz, Yu. Ralchenko, A. Chutjian, J. Simcic, and R. J. Mawhorter
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 10 November 2014
Electron collisions with ethylene: The role of multichannel-coupling effects
Romarly F. da Costa, Márcio H. F. Bettega, Márcio T. do N. Varella, Eliane M. de Oliveira, and Marco A. P. Lima
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 10 November 2014
Relativistic many-body analysis of the electric dipole moment of Rn223
B. K. Sahoo, Yashpal Singh, and B. P. Das
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 07 November 2014
Spin–flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated molecules
Nicholas J. Mayhall, Paul R. Horn, Eric J. Sundstrom and Martin Head-Gordon
Phys. Chem. Chem. Phys., Vol: 16, No: 41 , published: 07 November 2014
Isotope shifts in francium isotopes Fr206213 and Fr221
R. Collister, G. Gwinner, M. Tandecki, J. A. Behr, M. R. Pearson, J. Zhang, L. A. Orozco, S. Aubin, and E. Gomez (FrPNC Collaboration)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 07 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
On subthreshold ionization of helium droplets, ejection of He+, and the role of anions
Michael Renzler, Matthias Daxner, Nikolaus Weinberger, Stephan Denifl, Paul Scheier and Olof Echt
Phys. Chem. Chem. Phys., Vol: 16, No: 41 , published: 07 November 2014
Electrochemical reduction of N,N′-thiobisphthalimide and N,N′-dithiobisphthalimide: ejection of diatomic sulfur through an autocatalytic mechanism
Emad M. Hamed, Kallum M. Koczkur and Abdelaziz Houmam
Phys. Chem. Chem. Phys., Vol: 16, No: 41 , published: 07 November 2014
Properties and reactivities of nonheme iron(IV)–oxo versus iron(V)–oxo: long-range electron transfer versus hydrogen atom abstraction
Baharan Karamzadeh, Devendra Singh, Wonwoo Nam, Devesh Kumar and Sam P. de Visser
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
Predicting the properties of a new class of host–guest complexes: C60 fullerene and CB[9] cucurbituril
Eudes Fileti, Guilherme Colherinhas and Thaciana Malaspina
Phys. Chem. Chem. Phys., Vol: 16, No: 41 , published: 07 November 2014
The effect of fluorine substitution in alcohol–amine complexes
Anne S. Hansen, Lin Du and Henrik G. Kjaergaard
Phys. Chem. Chem. Phys., Vol: 16, No: 41 , published: 07 November 2014
Gaussian analysis of Raman spectroscopy of acetic acid reveals a significant amount of monomers that effectively cooperate with hydrogen bonded linear chains
Jianping Wu
Phys. Chem. Chem. Phys., Vol: 16, No: 41 , published: 07 November 2014
Enhanced catalytic and SERS activities of CTAB stabilized interconnected osmium nanoclusters
Sivasankara Rao Ede, U. Nithiyanantham and Subrata Kundu
Phys. Chem. Chem. Phys., Vol: 16, No: 41 , published: 07 November 2014
Relativistic effects in photoionization time delay near the Cooper minimum of noble-gas atoms
Soumyajit Saha, Ankur Mandal, Jobin Jose, Hari R. Varma, P. C. Deshmukh, A. S. Kheifets, V. K. Dolmatov, and S. T. Manson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 06 November 2014
Electron-emission processes in highly charged Ar and Xe ions impinging on highly ordered pyrolytic graphite at energies just above the kinetic threshold
E. Bodewits, R. Hoekstra, K. Dobes, and F. Aumayr
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 06 November 2014
Relativistic effects in photoionization time delay near the Cooper minimum of noble-gas atoms
Soumyajit Saha, Ankur Mandal, Jobin Jose, Hari R. Varma, P. C. Deshmukh, A. S. Kheifets, V. K. Dolmatov, and S. T. Manson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 06 November 2014
Intrinsic anharmonic effects on the phonon frequencies and effective spin-spin interactions in a quantum simulator made from trapped ions in a linear Paul trap
M. McAneny and J. K. Freericks
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 06 November 2014
Carbon atom in intense magnetic fields
Anand Thirumalai, Steven J. Desch, and Patrick Young
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 05 November 2014
Cold magnetically trapped 2Dg scandium atoms. I. Interaction potential
Tijs Karman, Xi Chu, and Gerrit C. Groenenboom
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 05 November 2014
Cold magnetically trapped 2Dg scandium atoms. II. Scattering dynamics
Tijs Karman and Gerrit C. Groenenboom
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 5 , published: 05 November 2014
Peculiarities of resonance fluorescence statistics for a two-level atom in frequency selective feedback loop
Vladimir A. Tomilin, Leonid V. Il'ichov
Annalen der Physik , Vol: 526, No: 11-12 , published: 01 November 2014
Фотоионизация атомов благородных газов ультракороткими электромагнитными импульсами
Астапенко В.А., Свита С.Ю.
Ж. эксперим. и теор. физ., Vol: 146, No: 5 , published: 01 November 2014
Волоконно-оптическая регистрация спектров вторичного излучения молекулярных соединений
В. С. Горелик, А. О. Литвинова, М. Ф. Умаров
Кpатк. сообщ. по физ. ФИAН, Vol: 2014, No: 11 , published: 01 November 2014
О реализации высокой концентрации атомов лития-7 в магнитооптической ловушке
Зеленер Б.Б., Саакян С.А., Саутенков В.А., Маныкин Э.А., Зеленер Б.В., Фортов В.Е.
Ж. эксперим. и теор. физ., Vol: 146, No: 5 , published: 01 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 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
The Mobile Particles Collision Frequency
N.S. Peev
Bulg. J. Phys., Vol: 41, No: 4 , published: 01 November 2014
Синтез 11-метил-13-азабицикло[7.3.1]тридека-3,10-диена — макробицикла с углеродным остовом 9b-азафеналена — на основе комбинации аллилборирования и внутримолекулярного метатезиса
Н. Ю. Кузнецов, В. Н. Хрусталев, Т. В. Стрелкова, Ю. Н. Бубнов
Изв. РАН. Сер. хим., Vol: 2014, No: 11 , published: 01 November 2014
Активация связей M—H гидридов переходных металлов при образовании комплексов с кислотами и основаниями
О. А. Филиппов, И. Е. Голуб, Е. С. Осипова, В. А. Киркина, Е. И. Гуцул, Н. В. Белкова
Изв. РАН. Сер. хим., Vol: 2014, No: 11 , published: 01 November 2014
Несимметрично замещенные рутеноцены: синтез, структура и природа связи. Электронные эффекты заместителей в рутеноцене*
Д. В. Муратов, А. С. Романов, А. Р. Кудинов
Изв. РАН. Сер. хим., Vol: 2014, No: 11 , published: 01 November 2014
Промотируемое амином нуклеофильное присоединение трет-бутилгидроперекиси к 2,5-дифенилфосфацимантрену: разрыв связи кислород—кислород и новая перегруппировка с перемещением группы RO от кислорода к фосфору
В. И. Соколов, А. Ф. Смольяков, А. Г. Гинзбург
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
Локальная спектроскопия комбинационного рассеяния света днк
В. С. Горелик, А. С. Крылов, В. П. Свербиль
Кpатк. сообщ. по физ. ФИAН, Vol: 2014, No: 11 , published: 01 November 2014
Calculation of fine-structure splittings in high-lying F2 states of rubidium
S. A. Blundell
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 31 October 2014
Two-photon microwave transitions and strong-field effects in a room-temperature Rydberg-atom gas
D. A. Anderson, A. Schwarzkopf, S. A. Miller, N. Thaicharoen, G. Raithel, J. A. Gordon, and C. L. Holloway
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 29 October 2014
A continuum solvent model of ion–ion interactions in water
Timothy T. Duignan, Drew F. Parsons and Barry W. Ninham
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Explicitly correlated PNO-MP2 and PNO-CCSD and their application to the S66 set and large molecular systems
Gunnar Schmitz, Christof Hättig and David P. Tew
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
On the trends of Fukui potential and hardness potential derivatives in isolated atoms vs. atoms in molecules
Rituparna Bhattacharjee and Ram Kinkar Roy
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Solvation chemical shifts of perylenic antenna molecules from molecular dynamics simulations
Nergiz Özcan, Jiří Mareš, Dage Sundholm and Juha Vaara
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Circular dichroism in molecular-frame photoelectron angular distributions in the dissociative photoionization of H2 and D2 molecules
J. F. Pérez-Torres, J. L. Sanz-Vicario, K. Veyrinas, P. Billaud, Y. J. Picard, C. Elkharrat, S. Marggi Poullain, N. Saquet, M. Lebech, J. C. Houver, F. Martín, and D. Dowek
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 28 October 2014
Probing molecular interaction in ionic liquids by low frequency spectroscopy: Coulomb energy, hydrogen bonding and dispersion forces
Koichi Fumino, Sebastian Reimann and Ralf Ludwig
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Fragmentation of anthracene C14H10, acridine C13H9N and phenazine C12H8N2 ions in collisions with atoms
M. H. Stockett, M. Gatchell, J. D. Alexander, U. Bērziņš, T. Chen, K. Farid, A. Johansson, K. Kulyk, P. Rousseau, K. Støchkel, L. Adoui, P. Hvelplund, B. A. Huber, H. T. Schmidt, H. Zettergren and H. Cederquist
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties
André Bessette, Mihaela Cibian, Francis Bélanger, Denis Désilets and Garry S. Hanan
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
SERS spectroscopic evidence for the integrity of surface-deposited self-assembled coordination cages
Marina Frank, Sebastian Funke, Hainer Wackerbarth and Guido H. Clever
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Low-energy vibrational spectra of flexible diphenyl molecules: biphenyl, diphenylmethane, bibenzyl and 2-, 3- and 4-phenyltoluene
M. A. Martin-Drumel, O. Pirali, C. Falvo, P. Parneix, A. Gamboa, F. Calvo and Ph. Bréchignac
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Distinguishing isobaric phosphated and sulfated carbohydrates by coupling of mass spectrometry with gas phase vibrational spectroscopy
Baptiste Schindler, Janhavi Joshi, Abdul-Rahman Allouche, Daniel Simon, Stéphane Chambert, Vincent Brites, Marie-Pierre Gaigeot and Isabelle Compagnon
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Vibrational spectra and structures of neutral Si6X clusters (X = Be, B, C, N, O)
Nguyen Xuan Truong, Marco Savoca, Dan J. Harding, André Fielicke and Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Absorption spectra of alkali-C60 nanoclusters
Franck Rabilloud
Phys. Chem. Chem. Phys., Vol: 16, No: 40 , published: 28 October 2014
Relativistic global and local divergences in hydrogenic systems: A study in position and momentum spaces
J. Antolín, J. C. Angulo, S. Mulas, and S. López-Rosa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 27 October 2014
Electron-loss-to-continuum cusp in U88++N2 collisions
P.-M. Hillenbrand, S. Hagmann, A. B. Voitkiv, B. Najjari, D. Banaś, K.-H. Blumenhagen, C. Brandau, W. Chen, E. De Filippo, A. Gumberidze, D. L. Guo, C. Kozhuharov, M. Lestinsky, Yu. A. Litvinov, A. Müller, H. Rothard, S. Schippers, M. S. Schöffler, U. Spillmann, S. Trotsenko, X. L. Zhu, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 27 October 2014
Electron-loss-to-continuum cusp in U88++N2 collisions
P.-M. Hillenbrand, S. Hagmann, A. B. Voitkiv, B. Najjari, D. Banaś, K.-H. Blumenhagen, C. Brandau, W. Chen, E. De Filippo, A. Gumberidze, D. L. Guo, C. Kozhuharov, M. Lestinsky, Yu. A. Litvinov, A. Müller, H. Rothard, S. Schippers, M. S. Schöffler, U. Spillmann, S. Trotsenko, X. L. Zhu, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 27 October 2014
Alignment and pulse-duration effects in two-photon double ionization of H2 by femtosecond XUV laser pulses
Xiaoxu Guan, Klaus Bartschat, Barry I. Schneider, and Lars Koesterke
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 24 October 2014
Role of ionization-excitation processes in the cross section for direct ionization of heavy atomic ions by electron impact
J. L. Zeng, L. P. Liu, P. F. Liu, and J. M. Yuan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 23 October 2014
Spin-exchange narrowing of the atomic ground-state resonances
W. Chalupczak, P. Josephs-Franks, B. Patton, and S. Pustelny
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 21 October 2014
Experimental investigation of the interatomic Coulombic decay in NeAr dimers
P. O'Keeffe, A. Ciavardini, E. Ripani, P. Bolognesi, M. Coreno, L. Avaldi, M. Devetta, M. Di Fraia, C. Callegari, K. C. Prince, and R. Richter
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 21 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
Relativistic DFT calculations of magnetic moments of pristine and thiolated Mn@Aux (x = 6, 12)
G. Raggi and J. R. Soto
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
Cross-polarization for dissolution dynamic nuclear polarization
Michael Batel, Alexander Däpp, Andreas Hunkeler, Beat H. Meier, Sebastian Kozerke and Matthias Ernst
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
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
A theoretical study of the structures and optical spectra of helical copper–silver clusters
Christopher J. Heard and Roy L. Johnston
Phys. Chem. Chem. Phys., Vol: 16, No: 39 , published: 21 October 2014
Structure prediction of nanoclusters; a direct or a pre-screened search on the DFT energy landscape?
M. R. Farrow, Y. Chow and S. M. Woodley
Phys. Chem. Chem. Phys., Vol: 16, No: 39 , published: 21 October 2014
Structure, fragmentation patterns, and magnetic properties of small cobalt oxide clusters
R. H. Aguilera-del-Toro, F. Aguilera-Granja, A. Vega and L. C. Balbás
Phys. Chem. Chem. Phys., Vol: 16, No: 39 , published: 21 October 2014
Theoretical analysis of Young-type electron interference in He2++H2 collisions using a semiclassical model
G. Oliviéro, V. Pestel, L. Bottey, M. Philippe, and F. Frémont
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 21 October 2014
Ion-momentum imaging of dissociative-electron-attachment dynamics in acetylene
M. Fogle, D. J. Haxton, A. L. Landers, A. E. Orel, and T. N. Rescigno
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , 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
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
Relativistic calculations of x-ray emission following a Xe-Bi83+ collision
Y. S. Kozhedub, V. M. Shabaev, I. I. Tupitsyn, A. Gumberidze, S. Hagmann, G. Plunien, and Th. Stöhlker
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 17 October 2014
Influence of the excitation threshold of d electrons on electronic stopping of slow light ions
D. Goebl, W. Roessler, D. Roth, and P. Bauer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 16 October 2014
Фрагментация молекулы пролина электронным ударом
Вукстич В.С., Романова Л.Г., Мегела И.Г., Папп А.В., Снегурский А.В.
Письма в ЖТФ, Vol: 40, No: 20 , published: 15 October 2014
Hamiltonian formulation of the standard PT-symmetric nonlinear Schrödinger dimer
I. V. Barashenkov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 14 October 2014
A uniform approach to the description of multicenter bonding
Dariusz W. Szczepanik, Marcin Andrzejak, Karol Dyduch, Emil Żak, Marcin Makowski, Grzegorz Mazur and Janusz Mrozek
Phys. Chem. Chem. Phys., Vol: 16, No: 38 , published: 14 October 2014
The effect of pump-2 laser on Autler–Townes splitting in photoelectron spectra of K2 molecule
Wei Guo, Xingqiang Lu, Xinlin Wang and Hongbin Yao
Phys. Chem. Chem. Phys., Vol: 16, No: 38 , published: 14 October 2014
Large-scale first principles configuration interaction calculations of optical absorption in aluminum clusters
Ravindra Shinde and Alok Shukla
Phys. Chem. Chem. Phys., Vol: 16, No: 38 , published: 14 October 2014
Shining new light on the multifaceted dissociative photoionisation dynamics of CCl4
Jonelle Harvey, Richard P. Tuckett and Andras Bodi
Phys. Chem. Chem. Phys., Vol: 16, No: 38 , published: 14 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
Empirical formula for over-barrier strong-field ionization
Qingbin Zhang, Pengfei Lan, and Peixiang Lu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 13 October 2014
Quantum-defect model of a reactive collision at finite temperature
Krzysztof Jachymski, Michał Krych, Paul S. Julienne, and Zbigniew Idziaszek
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 10 October 2014
Electron-impact dissociative ionization of the molecular ion HDO+: A global view
P. Defrance, J. Jureta, J. Lecointre, E. Giglio, B. Gervais, C. Dal Cappello, M. Ruiz-Lopez, I. Charpentier, and P.-A. Hervieux
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 10 October 2014
Ground-state cooling of a trapped ion by quantum interference pathways
Shuo Zhang, Jian-Qi Zhang, Qian-Heng Duan, Chu Guo, Chun-Wang Wu, Wei Wu, and Ping-Xing Chen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 09 October 2014
Threshold effects in positron scattering from isoelectronic series of atoms and molecules
J. R. Machacek, S. J. Buckman, and J. P. Sullivan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 09 October 2014
Threshold effects in positron scattering from isoelectronic series of atoms and molecules
J. R. Machacek, S. J. Buckman, and J. P. Sullivan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 09 October 2014
Dynamic discrimination of oriented molecules controlled with the nonresonant dynamic Stark effect induced by a single-cycle THz pulse
Yuzuru Kurosaki, Hiroshi Akagi, and Keiichi Yokoyama
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 08 October 2014
Angular correlation of a pair of Lyman-α photons produced in the photodissociation of H2
Yuko Nakanishi, Kouichi Hosaka, Ryoko Kougo, Takeshi Odagiri, Motoyoshi Nakano, Yoshiaki Kumagai, Kennichi Shiino, Masashi Kitajima, and Noriyuki Kouchi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 08 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
The influence of hydrogen bonding on the nonlinear optical properties of a semiorganic material NH4B[D-(+)-C4H4O5]2·H2O: a theoretical perspective
Chen Lei, Zhihua Yang, Bingbing Zhang, Ming-Hsein Lee, Qun Jing, Zhaohui Chen, Xu-Chu Huang, Ying Wang, Shilie Pan and Muhammad Ramzan Saeed Ashraf Janjua
Phys. Chem. Chem. Phys., Vol: 16, No: 37 , published: 07 October 2014
Density functional studies on (NCH)n azagraphane: activated surface for organocatalysis
S. Marutheeswaran, Pattath D. Pancharatna and Musiri M. Balakrishnarajan
Phys. Chem. Chem. Phys., Vol: 16, No: 37 , published: 07 October 2014
Mapping the affinity of aluminum(III) for biophosphates: interaction mode and binding affinity in 1 : 1 complexes
Noelia B. Luque, Jon I. Mujika, Elixabete Rezabal, Jesus M. Ugalde and Xabier Lopez
Phys. Chem. Chem. Phys., Vol: 16, No: 37 , published: 07 October 2014
Zinc blende versus wurtzite ZnS nanoparticles: control of the phase and optical properties by tetrabutylammonium hydroxide
F. A. La Porta, J. Andrés, M. S. Li, J. R. Sambrano, J. A. Varela and E. Longo
Phys. Chem. Chem. Phys., Vol: 16, No: 37 , published: 07 October 2014
Central-field model for the γ spectrum of positrons annihilating on rare-gas atoms
Yongjun Cheng and J. Mitroy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 06 October 2014
Boron and other Triel Lewis Acid Centers: From Hypovalency to Hypervalency
Sławomir J. Grabowski
ChemPhysChem., Vol: 15, No: 14 , published: 06 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
Organic Superhalogens
Santanab Giri, Brandon Z. Child, Puru Jena
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
Displacement effect in strong-field atomic ionization by an XUV pulse
Igor A. Ivanov, Anatoli S. Kheifets, Klaus Bartschat, John Emmons, Sean M. Buczek, Elena V. Gryzlova, and Alexei N. Grum-Grzhimailo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 03 October 2014
Subcycle transient structures in time-dependent multiphoton-ionization rates
Dmitry A. Telnov, K. Nasiri Avanaki, and Shih-I Chu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 03 October 2014
Absolute frequency measurement of the 7s2 1S07s7p 1P1 transition in Ra225
B. Santra, U. Dammalapati, A. Groot, K. Jungmann, and L. Willmann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 02 October 2014
Photoionization of a hydrogen atom in a uniform electric field as visualization of the Stokes phenomenon
V. I. Osherov and V. G. Ushakov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 02 October 2014
Ionization-excitation of helium by high-resolution (e,2e) spectroscopy and 4-body distorted-wave calculations
X. L. Chen, A. L. Harris, J. M. Li, T. P. Esposito, J. K. Deng, and C. G. Ning
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 4 , published: 01 October 2014
Band structure and spin–orbit coupling engineering in transition-metal dichalcogenides
Jaroslav Fabian
Annalen der Physik , Vol: 526, No: 9-10 , published: 01 October 2014
Unified Treatment of One-Range Addition Theorems for Complete Orthonormal Sets of Generalized Exponential-Type Orbitals and Noninteger n Slater Functions
Israfil I. Guseinov
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
17-Краун-5-эфир на основе 11-вершинного нидо-карборана
Д. С. Перекалин, К. А. Лысенко, А. Р. Кудинов
Изв. РАН. Сер. хим., Vol: 2014, 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
Комплексы (тетраметилциклобутадиен)кобальта Сообщение 10.* Синтез ареновых комплексов [(C4Me4)Co(arene)]+ и механизм реакции обмена арена
Д. А. Логинов, Е. В. Муценек, З. А. Старикова , Е. А. Петровская, А. Р. Кудинов
Изв. РАН. Сер. хим., Vol: 2014, No: 10 , published: 01 October 2014
Комплексы иттрия и иттербия(III) с анса-связанным бис(амидинатным) лигандом, содержащим конформационно жесткий о-фениленовый мостик
А. О. Толпыгин, А. В. Черкасов, Г. К. Фукин, А. А. Трифонов
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
Эффективные методы получения бромсодержащих экзо-нидо- и клозо-рутенакарборановых кластеров
Д. И. Дьячихин, И. Д. Гришин, А. В. Пискунов, И. А. Годовиков, А. Ю. Костюкович, А. Ф. Смольяков, Ф. М. Долгушин, И. Т. Чижевский, Д. Ф. Гришин
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
Ni-Catalyzed C–C Bond Formation with α,β-Unsaturated Carbonyl Compounds and Alkynes
Takuya Kurahashi
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
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
Variational energy bounds for the hydrogen molecular ion
Ye Ning and Zong-Chao Yan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 30 September 2014
Zeeman effect of hyperfine-resolved spectral lines of singly ionized praseodymium using collinear laser–ion-beam spectroscopy
S. Werbowy, J. Kwela, N. Anjum, H. Hühnermann, and L. Windholz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 30 September 2014
Electron elastic scattering off a spin-polarized Cr atom
V. K. Dolmatov, M. Ya. Amusia, and L. V. Chernysheva
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 30 September 2014
Metastable compound states of an antiproton and a hydrogen atom
Kazuhiro Sakimoto
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 29 September 2014
Magnetic-field-dependent angular distributions and linear polarizations of emissions from the 2p53s3P2o state in Ne-like ions
Jiguang Li, Tomas Brage, Per Jönsson, and Yang Yang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 29 September 2014
Direct detection of enhanced ionization in CO and N2 in strong fields
Wei Lai and Chunlei Guo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 29 September 2014
Ultrafast photo-induced ligand solvolysis of cis-[Ru(bipyridine)2(nicotinamide)2]2+: experimental and theoretical insight into its photoactivation mechanism
Simon E. Greenough, Gareth M. Roberts, Nichola A. Smith, Michael D. Horbury, Russell G. McKinlay, Justyna M. Żurek, Martin J. Paterson, Peter J. Sadler and Vasilios G. Stavros
Phys. Chem. Chem. Phys., Vol: 16, No: 36 , published: 28 September 2014
Hydrogen bond dynamics of superheated water and methanol by ultrafast IR-pump and EUV-photoelectron probe spectroscopy
E. Vöhringer-Martinez, O. Link, E. Lugovoy, K. R. Siefermann, F. Wiederschein, H. Grubmüller and B. Abel
Phys. Chem. Chem. Phys., Vol: 16, No: 36 , published: 28 September 2014
Topological analyses and small-world patterns of hydrogen bond networks in water + t-butanol, water + n-butanol and water + ammonia mixtures
Juliana Angeiras Batista da Silva, Francisco George Brady Moreira, Vivianni Marques Leite dos Santos and Ricardo Luiz Longo
Phys. Chem. Chem. Phys., Vol: 16, No: 36 , published: 28 September 2014
Supramolecular self-assembled network formation containing NBr halogen bonds in physisorbed overlayers
Adam Y. Brewer, Marco Sacchi, Julia E. Parker, Chris L. Truscott, Stephen J. Jenkins and Stuart M. Clarke
Phys. Chem. Chem. Phys., Vol: 16, No: 36 , published: 28 September 2014
The seeming lack of CFHO intramolecular hydrogen bonds in linear aliphatic fluoroalcohols in solution
R. A. Cormanich, R. Rittner, M. P. Freitas and M. Bühl
Phys. Chem. Chem. Phys., Vol: 16, No: 36 , published: 28 September 2014
Halogen bonding interaction of chloromethane with several nitrogen donating molecules: addressing the nature of the chlorine surface σ-hole
Pradeep R. Varadwaj, Arpita Varadwaj and Bih-Yaw Jin
Phys. Chem. Chem. Phys., Vol: 16, No: 36 , published: 28 September 2014
Vibrational dynamics and solvatochromism of the label SCN in various solvents and hemoglobin by time dependent IR and 2D-IR spectroscopy
Luuk J. G. W. van Wilderen, Daniela Kern-Michler, Henrike M. Müller-Werkmeister and Jens Bredenbeck
Phys. Chem. Chem. Phys., Vol: 16, No: 36 , published: 28 September 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
The halogen bond in thiiraneClF: an example of a Mulliken inner complex
J. Grant Hill
Phys. Chem. Chem. Phys., Vol: 16, No: 36 , published: 28 September 2014
The enhancing effects of group V σ-hole interactions on the FO halogen bond
Wei Li, Yanli Zeng, Xueying Zhang, Shijun Zheng and Lingpeng Meng
Phys. Chem. Chem. Phys., Vol: 16, No: 36 , published: 28 September 2014
Probing an excited-state atomic transition using hyperfine quantum-beat spectroscopy
C. G. Wade, N. Šibalić, J. Keaveney, C. S. Adams, and K. J. Weatherill
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 25 September 2014
Relativistic all-order calculations of Th, Th+, and Th2+ atomic properties
M. S. Safronova, U. I. Safronova, and Charles W. Clark
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 25 September 2014
Probing an excited-state atomic transition using hyperfine quantum-beat spectroscopy
C. G. Wade, N. Šibalić, J. Keaveney, C. S. Adams, and K. J. Weatherill
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 25 September 2014
Two-color ionization of hydrogen close to threshold with keV photons
Mihai Dondera, Viorica Florescu, and Henri Bachau
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 25 September 2014
Recombination of W18+ ions with electrons: Absolute rate coefficients from a storage-ring experiment and from theoretical calculations
K. Spruck, N. R. Badnell, C. Krantz, O. Novotný, A. Becker, D. Bernhardt, M. Grieser, M. Hahn, R. Repnow, D. W. Savin, A. Wolf, A. Müller, and S. Schippers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 25 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
Transition energy measurements in hydrogenlike and heliumlike ions strongly supporting bound-state QED calculations
K. Kubiček, P. H. Mokler, V. Mäckel, J. Ullrich, and J. R. Crespo López-Urrutia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 22 September 2014
Transition energy measurements in hydrogenlike and heliumlike ions strongly supporting bound-state QED calculations
K. Kubiček, P. H. Mokler, V. Mäckel, J. Ullrich, and J. R. Crespo López-Urrutia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 22 September 2014
Three-body bound states and structure calculations of the He2Ne system using the slow variable discretization method
Muhammad Saleem Shahzad and Yong Li
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 22 September 2014
Single-photon emission from simultaneous two-electron transitions in He-like ions
L. Natarajan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 22 September 2014
Fast single-molecule FRET spectroscopy: theory and experiment
Hoi Sung Chung and Irina V. Gopich
Phys. Chem. Chem. Phys., Vol: 16, No: 35 , published: 21 September 2014
Exploiting level anti-crossings (LACs) in the rotating frame for transferring spin hyperpolarization
Andrey N. Pravdivtsev, Alexandra V. Yurkovskaya, Nikita N. Lukzen, Hans-Martin Vieth and Konstantin L. Ivanov
Phys. Chem. Chem. Phys., Vol: 16, No: 35 , published: 21 September 2014
High-field liquid state NMR hyperpolarization: a combined DNP/NMRD approach
Petr Neugebauer, Jan G. Krummenacker, Vasyl P. Denysenkov, Christina Helmling, Claudio Luchinat, Giacomo Parigi and Thomas F. Prisner
Phys. Chem. Chem. Phys., Vol: 16, No: 35 , published: 21 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
Strongly bound noncovalent (SO3)n:H2CO complexes (n = 1, 2)
Luis Miguel Azofra, Ibon Alkorta and Steve Scheiner
Phys. Chem. Chem. Phys., Vol: 16, No: 35 , published: 21 September 2014
Photo-stability of peptide-bond aggregates: N-methylformamide dimers
Rachel Crespo-Otero, Artur Mardykov, Elsa Sanchez-Garcia, Wolfram Sander and Mario Barbatti
Phys. Chem. Chem. Phys., Vol: 16, No: 35 , published: 21 September 2014
Mechanism of the S1 excited state internal conversion in vitamin B12
Piotr Lodowski, Maria Jaworska, Tadeusz Andruniów, Brady D. Garabato and Pawel M. Kozlowski
Phys. Chem. Chem. Phys., Vol: 16, No: 35 , published: 21 September 2014
Radiative association processes to specific rovibrational levels in low-energy Na++Rb87 collisions
L. L. Yan, X. Y. Li, Y. Wu, J. G. Wang, and Y. Z. Qu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 18 September 2014
Mass scaling and nonadiabatic effects in photoassociation spectroscopy of ultracold strontium atoms
Mateusz Borkowski, Piotr Morzyński, Roman Ciuryło, Paul S. Julienne, Mi Yan, Brian J. DeSalvo, and T. C. Killian
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 16 September 2014
Efficient optical schemes to create ultracold KRb molecules in their rovibronic ground state
D. Borsalino, B. Londoño-Florèz, R. Vexiau, O. Dulieu, N. Bouloufa-Maafa, and E. Luc-Koenig
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 15 September 2014
Laser Mass Spectrometry with Circularly Polarized Light: Circular Dichroism of Cold Molecules in a Supersonic Gas Beam
Katharina Titze, Tilo Zollitsch, Ulrich Heiz, Ulrich Boesl
ChemPhysChem., Vol: 15, No: 13 , published: 15 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
A Quantitative View of Charge Transfer in the Hydrogen Bond: The Water Dimer Case
Enrico Ronca, Leonardo Belpassi,  Francesco Tarantelli
ChemPhysChem., Vol: 15, No: 13 , published: 15 September 2014
Theoretical Study on Experimentally Detected Sc2S@C84
Chong Zhao, Dan Lei, Li-Hua Gan, Zhu-Xia Zhang, Chun-Ru Wang
ChemPhysChem., Vol: 15, No: 13 , published: 15 September 2014
Model Study of the Photochemical Rearrangement Pathways of 1,2,4-Oxadiazole
Ming-Der Su
ChemPhysChem., Vol: 15, No: 13 , published: 15 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
Competitive reaction pathways in vibrationally induced photodissociation of H2SO4
Juvenal Yosa Reyes, Tibor Nagy and Markus Meuwly
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
Quasi-planar aromatic B36 and B36 clusters: all-boron analogues of coronene
Qiang Chen, Guang-Feng Wei, Wen-Juan Tian, Hui Bai, Zhi-Pan Liu, Hua-Jin Zhai and Si-Dian Li
Phys. Chem. Chem. Phys., Vol: 16, No: 34 , published: 14 September 2014
Quantum rules for planar boron nanoclusters
Athanasios G. Arvanitidis, Truong Ba Tai, Minh Tho Nguyen and Arnout Ceulemans
Phys. Chem. Chem. Phys., Vol: 16, No: 34 , published: 14 September 2014
Electronically tunable anion−π interactions in pyrylium complexes: experimental and theoretical studies
Antonio Franconetti, Lidia Contreras-Bernal, Sorel Jatunov, Manuel Gómez-Guillén, Manuel Angulo, Rafael Prado-Gotor and Francisca Cabrera-Escribano
Phys. Chem. Chem. Phys., Vol: 16, No: 34 , published: 14 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
Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays
A. Crawford-Uranga, U. De Giovannini, E. Räsänen, M. J. T. Oliveira, D. J. Mowbray, G. M. Nikolopoulos, E. T. Karamatskos, D. Markellos, P. Lambropoulos, S. Kurth, and A. Rubio
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 11 September 2014
Multichannel quantum defect theory for rovibrational transitions in ultracold molecule-molecule collisions
Jisha Hazra, Brandon P. Ruzic, N. Balakrishnan, and John L. Bohn
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 10 September 2014
Positron scattering and annihilation on noble-gas atoms
D. G. Green, J. A. Ludlow, and G. F. Gribakin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 10 September 2014
Electron-helium scattering in a 1.17 eV laser field: The effect of polarization direction
B. A. deHarak, Benjamin Nosarzewski, Mahsa Siavashpouri, and N. L. S. Martin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 09 September 2014
Observation of the hyperfine transition in lithium-like bismuth Bi20980+ : Towards a test of QED in strong magnetic fields
Matthias Lochmann, Raphael Jöhren, Christopher Geppert, Zoran Andelkovic, Denis Anielski, Benjamin Botermann, Michael Bussmann, Andreas Dax, Nadja Frömmgen, Michael Hammen, Volker Hannen, Thomas Kühl, Yuri A. Litvinov, Rubén López-Coto, Thomas Stöhlker, Richard C. Thompson, Jonas Vollbrecht, Andrey Volotka, Christian Weinheimer, Weiqiang Wen, Elisa Will, Danyal Winters, Rodolfo Sánchez, and Wilfried Nörtershäuser
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 08 September 2014
Low-energy elastic electron scattering from isobutanol and related alkyl amines
Kamil Fedus, C. Navarro, L. R. Hargreaves, M. A. Khakoo, F. M. Silva, M. H. F. Bettega, C. Winstead, and V. McKoy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 08 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
Bonding and spectroscopic properties of complexes of SO2–O2 and SO2–N2 and its atmospheric consequences
Samiyara Begum and Ranga Subramanian
Phys. Chem. Chem. Phys., Vol: 16, No: 33 , published: 07 September 2014
Two-color delay dependent IR probing of torsional isomerization in a [AgL1L2]+ complex
Johannes Lang, Maximilian Gaffga, Fabian Menges and Gereon Niedner-Schatteburg
Phys. Chem. Chem. Phys., Vol: 16, No: 33 , published: 07 September 2014
Hydrogen bonding tunes the early stage of hydrogen-atom abstracting reaction
Yang Yang, Lei Liu, Junsheng Chen and Keli Han
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
PICVib: an accurate, fast and simple procedure to investigate selected vibrational modes and evaluate infrared intensities
Marcus V. P. dos Santos, Yaicel G. Proenza and Ricardo L. Longo
Phys. Chem. Chem. Phys., Vol: 16, No: 33 , published: 07 September 2014
Direct observation of the cyclic dimer in liquid acetic acid by probing the C=O vibration with ultrafast coherent Raman spectroscopy
Matthias Lütgens, Frank Friedriszik and Stefan Lochbrunner
Phys. Chem. Chem. Phys., Vol: 16, No: 33 , published: 07 September 2014
Cascade splitting of two atomic energy levels due to multiphoton absorption
Ya-Ping Ruan, Feng-Dong Jia, Zhen Sun, Shuang-Fei Lv, Bo Qing, Wei Huang, Ping Xue, Xiang-Yuan Xu, Xing-Can Dai, and Zhi-Ping Zhong
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 05 September 2014
Dynamical adiabatic theory of atomic collisions: The structure of hidden, avoided, and L3 crossings
T. P. Grozdanov and E. A. Solov'ev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 05 September 2014
Photoionization of atoms and molecules studied by the Crank-Nicolson method
Xue-Bin Bian
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 04 September 2014
Spin-noise correlations and spin-noise exchange driven by low-field spin-exchange collisions
A. T. Dellis, M. Loulakis, and I. K. Kominis
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 04 September 2014
Scaling behavior of the ground-state antihydrogen yield as a function of positron density and temperature from classical-trajectory Monte Carlo simulations
B. Radics, D. J. Murtagh, Y. Yamazaki, and F. Robicheaux
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 03 September 2014
Thermal dispersion potential of a diamagnetic atom
Puxun Wu and Hongwei Yu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 03 September 2014
K-shell photoionization spectra of atomic beryllium between 1s2s2 and 1s(2s2p3P)4s
Shuichi Hasegawa, Satoshi Obara, Fumiko Yoshida, Yoshiro Azuma, Fumihiro Koike, and Tetsuo Nagata
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 03 September 2014
Probing spin-orbit-interaction-induced electron dynamics in the carbon atom by multiphoton ionization
H. F. Rey and H. W. van der Hart
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 03 September 2014
Properties of the ground 3F2 state and the excited 3P0 state of atomic thorium in cold collisions with He3
Yat Shan Au, Colin B. Connolly, Wolfgang Ketterle, and John M. Doyle
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 03 September 2014
Vibrational quenching of the electronic ground state in ThO in cold collisions with He3
Yat Shan Au, Colin B. Connolly, Wolfgang Ketterle, and John M. Doyle
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 03 September 2014
Multiple electron capture, excitation, and fragmentation in C6+C60 collisions
Humberto da Silva, Jr., Javier Oller, Michael Gatchell, Mark H. Stockett, Paul-Antoine Hervieux, Lamri Adoui, Manuel Alcamí, Bernd A. Huber, Fernando Martín, Henrik Cederquist, Henning Zettergren, Patrick Rousseau, and Sergio Díaz-Tendero
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 3 , published: 02 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
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
Структура и энергетика метановых гидратов
Гиричева Н.И., Ищенко А.А., Юсупов В.И., Баграташвили В.Н., Гиричев Г.В.
Изв. вузов. Химия и хим. технол., Vol: 57, No: 9 , published: 01 September 2014
Пространственное строение 2-(2´-гидроксифенил)-4-метилхроманов и некоторые особенности внутримолекулярной водородной связи
Д. В. Бердышев, Н. Н. Баланева, В. П. Глазунов, В. Л. Новиков
Изв. РАН. Сер. хим., Vol: 2014, No: 9 , published: 01 September 2014
Квантово-химические исследования пиримидин-4-онов Сообщение 4*. Электронное строение и реакционная способность замещенных 2-оксо(тиоксо)тиено[2,3-d]пиримидин-4-онов. Механизм ипсо-замещения метильной группы на нитрогруппу
М. Х. Мамарахмонов, Л. И. Беленький, Н. Д. Чувылкин, М. А. Аширматов, Б. Ж. Элмурадов, И. Ортиков,а А. Кодиров, Х. М. Шахидоятов
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
Фармакологически активные соли и ионные жидкости на основе 2-гидроксиэтиламинов, арилхалькогенилуксусных кислот и эссенциальных металлов
А. Н. Мирскова, С. Н. Адамович, Р. Г. Мирсков, М. Г. Воронков
Изв. РАН. Сер. хим., Vol: 2014, No: 9 , published: 01 September 2014
Структурно-фазовая характеристика боросиликатного покрытия
Ястребинский Р.Н., Куприева О.В., Черкашина Н.И.
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
Valence-shell single photoionization of chlorine-like K2+ ions: Experiment and theory
G. A. Alna'Washi, M. Lu, M. Habibi, D. Esteves-Macaluso, J. C. Wang, R. A. Phaneuf, A. L. D. Kilcoyne, C. Cisneros, and B. M. McLaughlin
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 29 August 2014
Strong enhancement of parity violation effects in chiral uranium compounds
Michael Wormit, Małgorzata Olejniczak, Anna-Lena Deppenmeier, Anastasia Borschevsky, Trond Saue and Peter Schwerdtfeger
Phys. Chem. Chem. Phys., Vol: 16, No: 32 , published: 28 August 2014
Structural and spectroscopic characterization of E- and Z-isomers of azobenzene
Luís Duarte, Rui Fausto and Igor Reva
Phys. Chem. Chem. Phys., Vol: 16, No: 32 , published: 28 August 2014
Is HO3 multiple-minimum and floppy? Covalent to van der Waals isomerization and bond rupture of a peculiar anion
A. J. C. Varandas
Phys. Chem. Chem. Phys., Vol: 16, No: 32 , published: 28 August 2014
Correlation effects in out-of-plane excitation-ionization collisions
A. L. Harris and T. P. Esposito
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 28 August 2014
A model study on the photochemical isomerization of isothiazoles and thiazoles
Ming-Der Su
Phys. Chem. Chem. Phys., Vol: 16, No: 32 , published: 28 August 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
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
Evaluating the cation binding strength and selectivity of calix[4]pyrroles: a computational and ESI-MS/MS study
Chinthapalli Dinesh Kumar, Bhaskar Sharma, Yarasi Soujanya, Vadla Naresh Chary, Santhosh Reddy Patpi, Srinivas Kantevari, Garikapati Narahari Sastry and Sripadi Prabhakar
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
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
Proper phase imprinting method for a dark soliton excitation in a superfluid Fermi mixture
Krzysztof Sacha and Dominique Delande
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 26 August 2014
The Local Kinetic Energy Profile of an Inverted Carbon—Carbon Bond Reveals and Refines its Charge-Shift Character
Heiko Jacobsen
ChemPhysChem., Vol: 15, No: 12 , published: 25 August 2014
Continuous Re-hyperpolarization of Nuclear Spins Using Parahydrogen: Theory and Experiment
Jan-Bernd Hövener , Stephan Knecht, M.Sc. Niels Schwaderlapp, Jürgen Hennig, Dominik von Elverfeldt
ChemPhysChem., Vol: 15, No: 12 , published: 25 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
Interatomic-Coulombic-decay-induced recapture of photoelectrons in helium dimers
P. Burzynski, F. Trinter, J. B. Williams, M. Weller, M. Waitz, M. Pitzer, J. Voigtsberger, C. Schober, G. Kastirke, C. Müller, C. Goihl, F. Wiegandt, R. Wallauer, A. Kalinin, L. Ph. H. Schmidt, M. Schöffler, G. Schiwietz, N. Sisourat, T. Jahnke, and R. Dörner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 25 August 2014
Dominance of the Breit interaction in the cross section and circular polarization of x-ray radiation following longitudinally-polarized-electron-impact excitation of highly charged ions
Zhan-Bin Chen, Chen-Zhong Dong, and Jun Jiang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 25 August 2014
Electron-impact study of the O2 molecule using the R-matrix method
Jasmeet Singh and K. L. Baluja
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 25 August 2014
Probing Protonation Sites of Isolated Flavins Using IR Spectroscopy: From Lumichrome to the Cofactor Flavin Mononucleotide
Judith Langer, Alan Günther, Sophie Seidenbecher, Giel Berden, Jos Oomens, Otto Dopfer
ChemPhysChem., Vol: 15, No: 12 , published: 25 August 2014
Ab initio properties of the ground-state polar and paramagnetic europium–alkali-metal-atom and europium–alkaline-earth-metal-atom molecules
Michał Tomza
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 22 August 2014
Ions colliding with mixed clusters of C60 and coronene: Fragmentation and bond formation
M. Gatchell, P. Rousseau, A. Domaracka, M. H. Stockett, T. Chen, H. T. Schmidt, J. Y. Chesnel, A. Méry, S. Maclot, L. Adoui, B. A. Huber, H. Zettergren, and H. Cederquist
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 22 August 2014
Time-resolved pump-probe spectroscopy to follow valence electronic motion in molecules: Application
Anthony D. Dutoi and Lorenz S. Cederbaum
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 21 August 2014
A new exchange–correlation functional free of delocalization and static correlation errors
Yu Liu and Jianzhong Wu
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 August 2014
An anatomy of intramolecular atomic interactions in halogen-substituted trinitromethanes
Ekaterina V. Bartashevich, Ángel Martín Pendás and Vladimir G. Tsirelson
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 August 2014
High-resolution x-ray-emission study of 1s4p and 1s3d two-electron photoexcitations in Kr
M. Kavčič, M. Žitnik, D. Sokaras, T.-C. Weng, R. Alonso-Mori, D. Nordlund, J.-Cl. Dousse, and J. Hoszowska
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 21 August 2014
A TDDFT/MMPol/PCM model for the simulation of exciton-coupled circular dichroism spectra
Sandro Jurinovich, Gennaro Pescitelli, Lorenzo Di Bari and Benedetta Mennucci
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 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
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
Ab initio molecular dynamics simulations of aqueous triflic acid confined in carbon nanotubes
Jeffrey K. Clark II, Bradley F. Habenicht and Stephen J. Paddison
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
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
The calculation of 29Si NMR chemical shifts of tetracoordinated silicon compounds in the gas phase and in solution
Cong Zhang, Pascal Patschinski, David S. Stephenson, Robin Panisch, Josef Heinrich Wender, Max C. Holthausen and Hendrik Zipse
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 August 2014
Pushing the limits in accurate vibrational structure calculations: anharmonic frequencies of lithium fluoride clusters (LiF)n, n = 2–10
Dominik Oschetzki and Guntram Rauhut
Phys. Chem. Chem. Phys., Vol: 16, No: 31 , published: 21 August 2014
Reservoir spectroscopy of 5s5p 3P25snd 3D1,2,3 transitions in strontium
Simon Stellmer and Florian Schreck
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 20 August 2014
Simulations of prompt many-body ionization in a frozen Rydberg gas
F. Robicheaux, M. M. Goforth, and M. A. Phillips
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 20 August 2014
Correlation trends in the polarizabilities of atoms and ions in the boron, carbon, and zinc homologous sequences of elements
Yashpal Singh and B. K. Sahoo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 19 August 2014
Two-body Förster resonance involving Rb nD states in a quasi-electrostatic trap
Jorge M. Kondo, Luis F. Gonçalves, Jader S. Cabral, Jonathan Tallant, and Luis G. Marcassa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 18 August 2014
Impact broadening, shifting, and asymmetry of the D1 and D2 lines of alkali-metal atoms colliding with noble-gas atoms
L Blank and David E. Weeks
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 18 August 2014
Electron scattering from the molecular hydrogen ion and its isotopologues
Mark C. Zammit, Dmitry V. Fursa, and Igor Bray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 18 August 2014
Relativistic configuration-interaction calculation of Kα transition energies in berylliumlike iron
V. A. Yerokhin, A. Surzhykov, and S. Fritzsche
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 15 August 2014
Off-axis low-energy structures in above-threshold ionization
M. Möller, F. Meyer, A. M. Sayler, G. G. Paulus, M. F. Kling, B. E. Schmidt, W. Becker, and D. B. Milošević
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 15 August 2014
О характеристике водородных связей в D-глюкозе
Иванов-Омский В.И.
Письма в ЖТФ, Vol: 40, No: 16 , published: 15 August 2014
Ionization amplitudes in electron-hydrogen collisions
I. Bray, C. J. Guilfoile, A. S. Kadyrov, D. V. Fursa, and A. T. Stelbovics
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 15 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
Left or right cholesterics? A matter of helix handedness and curliness
Elisa Frezza, Alberta Ferrarini, Hima Bindu Kolli, Achille Giacometti and Giorgio Cinacchi
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
A quantum algorithm for obtaining the energy spectrum of a physical system without guessing its eigenstates
Hefeng Wang
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
Photoelectron circular dichroism and spectroscopy of trifluoromethyl- and methyl-oxirane: a comparative study
Gustavo A. Garcia, Héloïse Dossmann, Laurent Nahon, Steven Daly and Ivan Powis
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
Hydrogen bonding of nitroxide spin labels in membrane proteins
P. Gast, R. T. L. Herbonnet, J. Klare, A. Nalepa, C. Rickert, D. Stellinga, L. Urban, K. Möbius, A. Savitsky, H.-J. Steinhoff and E. J. J. Groenen
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
Molecular collisions coming into focus
Jolijn Onvlee, Sjoerd N. Vogels, Alexander von Zastrow, David H. Parker and Sebastiaan Y. T. van de Meerakker
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
Is the contribution of cis and trans protonated 5-methylcytosine-SO3 isomers equal in the conversion to thymine-SO3 under bisulfite conditions? A theoretical perspective
Lingxia Jin, Lu Wang, Caiying Zhang, Wenliang Wang, Suotian Min and Daodao Hu
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 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
Alcohol dimers – how much diagonal OH anharmonicity?
Franz Kollipost, Kim Papendorf, Yu-Fang Lee, Yuan-Pern Lee and Martin A. Suhm
Phys. Chem. Chem. Phys., Vol: 16, No: 30 , published: 14 August 2014
How does the long G·G* Watson–Crick DNA base mispair comprising keto and enol tautomers of the guanine tautomerise? The results of a QM/QTAIM investigation<
Ol'ha O. Brovarets' and Dmytro M. Hovorun
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
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
Ultracold mixtures of metastable He and Rb: Scattering lengths from ab initio calculations and thermalization measurements
S. Knoop, P. S. Żuchowski, D. Kȩdziera, Ł. Mentel, M. Puchalski, H. P. Mishra, A. S. Flores, and W. Vassen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 13 August 2014
Electron-impact ionization of the inner subshells of uranium
M. S. Pindzola
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 13 August 2014
Моделирование химических свойств сверхтяжелых элементов «острова стабильности»
Ю. А. Демидов, А. В. Зайцевский
Изв. РАН. Сер. хим., Vol: 2014, No: 8 , published: 12 August 2014
Revised values for the nuclear quadrupole moments of S33 and S35
Stella Stopkowicz and Jürgen Gauss
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 12 August 2014
Комплексообразование гидропероксидов с Alk4NBr по данным спектроскопии ЯМР
Н. А. Туровский, Ю. В. Берестнева, Е. В. Ракша, И. А. Опейда, М. Ю. Зубрицкий
Изв. РАН. Сер. хим., Vol: 2014, No: 8 , published: 12 August 2014
Новое полуэмпирическое соотношение для определения «ароматичности» нефти и нефтепродуктов на основе спектров ЯМР 1Н
Г. А. Калабин, Б. Р. Садыков, Д. Ф. Кушнарев
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
Фазовые равновесия и структурно-фазовые превращения в системе фуразано[3,4-e]тетразин-4,6-диоксид—2,4-динитро-2,4-диазапентан
А. С. Жарков, П. И. Калмыков, Ю. Н. Бурцев, Н. П. Кузнецова, И. А. Мержанов, Н. В. Чуканов, В. В. Захаров, Г. В. Романенко, К. А. Сидоров, В. Е. Зарко
Изв. РАН. Сер. хим., Vol: 2014, No: 8 , published: 12 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
Comparative studies of density-functional approximations for light atoms in strong magnetic fields
Wuming Zhu, Liang Zhang, and S. B. Trickey
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 11 August 2014
Double ionization of Ar below the recollision threshold intensity
Zilong Zhang, Lihua Bai, and Jingtao Zhang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 11 August 2014
Resonant atom-dimer collisions in cesium: Testing universality at positive scattering lengths
A. Zenesini, B. Huang, M. Berninger, H.-C. Nägerl, F. Ferlaino, and R. Grimm
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 11 August 2014
Interference in dielectronic transitions in H2++He collisions
S. F. Zhang, X. Ma, and A. B. Voitkiv
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 11 August 2014
Radiative-electron-capture-to-continuum cusp in U88++N2 collisions and the high-energy endpoint of electron-nucleus bremsstrahlung
P.-M. Hillenbrand et al.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 11 August 2014
Theoretical study of pulse delay effects in the photoelectron angular distribution of near-threshold EUV+IR two-photon ionization of atoms
Kenichi L. Ishikawa, A. K. Kazansky, N. M. Kabachnik, and Kiyoshi Ueda
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 08 August 2014
Classical-trajectory Monte Carlo model calculations for the antiproton-induced ionization of atomic hydrogen at low impact energy
L. Sarkadi and L. Gulyás
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 08 August 2014
Analysis of parahydrogen polarized spin system in low magnetic fields
P. Türschmann, J. Colell, T. Theis, B. Blümich and S. Appelt
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
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
Solvent evaporation versus proton transfer in nucleobase–Pt(CN)4,62− dianion clusters: a collisional excitation and electronic laser photodissociation spectroscopy study
Ananya Sen, Thomas F. M. Luxford, Naruo Yoshikawa and Caroline E. H. Dessent
Phys. Chem. Chem. Phys., Vol: 16, No: 29 , published: 07 August 2014
A hydro-kinetic scheme for the dynamics of hydrogen bonds in water-like fluids
Nasrollah Moradi, Andreas Greiner, Simone Melchionna, Francesco Rao and Sauro Succi
Phys. Chem. Chem. Phys., Vol: 16, No: 29 , published: 07 August 2014
π-Cooperativity effect on the base stacking interactions in DNA: is there a novel stabilization factor coupled with base pairing H-bonds?
Hande Karabıyık, Resul Sevinçek and Hasan Karabıyık
Phys. Chem. Chem. Phys., Vol: 16, No: 29 , published: 07 August 2014
Selectivity in fragmentation of N-methylacetamide after resonant K-shell excitation
Peter Salén, Magdalena Kamińska, Richard J. Squibb, Robert Richter, Michele Alagia, Stefano Stranges, Peter van der Meulen, John H. D. Eland, Raimund Feifel and Vitali Zhaunerchyk
Phys. Chem. Chem. Phys., Vol: 16, No: 29 , published: 07 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
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
Vibrational characteristics of graphene sheets elucidated using an elastic network model
Min Hyeok Kim, Daejoong Kim, Jae Boong Choi and Moon Ki Kim
Phys. Chem. Chem. Phys., Vol: 16, No: 29 , published: 07 August 2014
Application of relativistic coupled-cluster theory to the effective electric field in YbF
M. Abe, G. Gopakumar, M. Hada, B. P. Das, H. Tatewaki, and D. Mukherjee
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 06 August 2014
Resonance-like enhancement in high-order above-threshold ionization of formic acid
C. Wang, Y. Tian, S. Luo, W. G. Roeterdink, Y. Yang, D. Ding, M. Okunishi, G. Prümper, K. Shimada, K. Ueda, and R. Zhu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 06 August 2014
Analysis of strong-field enhanced ionization of molecules using Bohmian trajectories
Ryohto Sawada, Takeshi Sato, and Kenichi L. Ishikawa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 05 August 2014
Nuclear-Spin-Induced Cotton–Mouton Effect in a Strong External Magnetic Field
Li-juan Fu, Juha Vaara
ChemPhysChem., Vol: 15, No: 11 , published: 04 August 2014
Two-Dimensional NMR Spectroscopy with Temperature-Sweep
Wolfgang Bermel, Rupashree Dass, Klaus-Peter Neidig,  Krzysztof Kazimierczuk
ChemPhysChem., Vol: 15, No: 11 , published: 04 August 2014
Potential-barrier effects in three-photon-ionization processes
Liang-Wen Pi and Anthony F. Starace
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 04 August 2014
Sympathetic cooling of molecular ions in a surface-electrode ion trap
A. Mokhberi and S. Willitsch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 04 August 2014
Nonlinear spectroscopy of trapped ions
Frank Schlawin, Manuel Gessner, Shaul Mukamel, and Andreas Buchleitner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 04 August 2014
Decay of a superfluid current of ultracold atoms in a toroidal trap
Amy C. Mathey, Charles W. Clark, and L. Mathey
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 04 August 2014
Effect of the center-of-mass approximation on the scaling of electron-capture fully differential cross sections
A. L. Harris and D. H. Madison
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 2 , published: 04 August 2014
Screening Nitrogen-Rich Bases and Oxygen-Rich Acids by Theoretical Calculations for Forming Highly Stable Salts
Xueli Zhang, Xuedong Gong
ChemPhysChem., Vol: 15, No: 11 , published: 04 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
Studying the Glycan Moiety of RNase B by Means of Raman and Raman Optical Activity
Carl Mensch, Robert Pendrill, Göran Widmalm, Christian Johannessen
ChemPhysChem., Vol: 15, No: 11 , published: 04 August 2014
Перекачка атомов стронция в магнитооптической ловушке на синглетных переходах
Гуров М.Г., Гурова Е.Г., Дмитриев А.К.
Изв. вузов. Физ., Vol: 57, No: 8 , published: 01 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
Halogen-Bond Interactions Enhanced by Charge-Assisted Hydrogen Bonds: An Ab Initio Study
Mehdi D. Esrafili, Fariba Mohammadian-Sabet
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
Effect of the Electron Density of the Heme Fe Atom on the Fe–Histidine Coordination Bond in Deoxy Myoglobin
Ryu Nishimura, Tomokazu Shibata, Hulin Tai, Izumi Ishigami, Sachiko Yanagisawa, Takashi Ogura, Saburo Neya, Akihiro Suzuki, Yasuhiko Yamamoto
Bull. Chem. Soc. Jpn., Vol: 87, No: 8 , published: 01 August 2014
Exploring the structure–aromaticity relationship in Hückel and Möbius N-fused pentaphyrins using DFT
M. Alonso, P. Geerlings and F . De Proft
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach
A. M. Teale, F. De Proft, P. Geerlings and D. J. Tozer
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Evaluating and interpreting the chemical relevance of the linear response kernel for atoms II: open shell
Zino Boisdenghien, Stijn Fias, Christian Van Alsenoy, Frank De Proft and Paul Geerlings
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 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
One-electron self-interaction and the asymptotics of the Kohn–Sham potential: an impaired relation
Tobias Schmidt, Eli Kraisler, Leeor Kronik and Stephan Kümmel
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Density functional tight binding: values of semi-empirical methods in an ab initio era
Qiang Cui and Marcus Elstner
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
The derivative discontinuity of the exchange–correlation functional
Paula Mori-Sánchez and Aron J. Cohen
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
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
A third-generation density-functional-theory-based method for calculating canonical molecular orbitals of large molecules
Toshiyuki Hirano and Fumitoshi Sato
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Challenging adiabatic time-dependent density functional theory with a Hubbard dimer: the case of time-resolved long-range charge transfer
Johanna I. Fuks and Neepa T. Maitra
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Density functional theory and Bader's atoms-in-molecules theory: towards a vivid dialogue
Vincent Tognetti and Laurent Joubert
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
Revisiting the density scaling of the non-interacting kinetic energy
Alex Borgoo, Andrew M. Teale and David J. Tozer
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Ligand field density functional theory for the prediction of future domestic lighting
Harry Ramanantoanina, Werner Urland, Amador García-Fuente, Fanica Cimpoesu and Claude Daul
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 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
Polarizability of fullerene [2+2]-dimers: a DFT study
Denis Sh. Sabirov, Anton O. Terentyev and Ramil G. Bulgakov
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Magnetic exchange in {GdIII–radical} complexes: method assessment, mechanism of coupling and magneto-structural correlations
Tulika Gupta, Thayalan Rajeshkumar and Gopalan Rajaraman
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
ortho-Hydroxylation of aromatic acids by a non-heme FeV[double bond, length as m-dash]O species: how important is the ligand design?
Azaj Ansari and Gopalan Rajaraman
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Experimental and theoretical investigations of the self-association of oxaliplatin
Predrag V. Petrović, Stefan Grimme, Snežana D. Zarić, Michel Pfeffer and Jean-Pierre Djukic
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
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
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
An isomeric reaction benchmark set to test if the performance of state-of-the-art density functionals can be regarded as independent of the external potential
Tobias Schwabe
Phys. Chem. Chem. Phys., Vol: 16, No: 28 , published: 28 July 2014
Electron capture in collisions of Si3+ ions with atomic hydrogen from low to intermediate energies
C. H. Liu, L. Liu, and J. G. Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 22 July 2014
Calculation of screened Coulomb potential matrices and its application to He bound and resonant states
Li Guang Jiao and Yew Kam Ho
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 21 July 2014
Intermolecular vibrational energy transfers in liquids and solids
Hailong Chen, Xiewen Wen, Xunmin Guo and Junrong Zheng
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
Raman cooling imaging: Detecting single atoms near their ground state of motion
B. J. Lester, A. M. Kaufman, and C. A. Regal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , 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
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
Multipole transitions to determine lifetimes and polarizabilities in Mg-like ions from Si2+ to Fm88+
U. I. Safronova, A. S. Safronova, and P. Beiersdorfer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 21 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
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 and optical properties of (CdSxSe1−x)42 nanoclusters
Baochang Wang and Natalia V. Skorodumova
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Performance of the MM/GBSA scoring using a binding site hydrogen bond network-based frame selection: the protein kinase case
Francisco Adasme-Carreño, Camila Muñoz-Gutierrez, Julio Caballero and Jans H. Alzate-Morales
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Calculation of the polarization fraction and electron-impact excitation cross section for the Cd+ (5p) 2P3/2 state
Christopher J. Bostock, Dmitry V. Fursa, Igor Bray, and Klaus Bartschat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , 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
IRMPD spectroscopy of metalated flavins: structure and bonding of Mq+–lumichrome complexes (Mq+ = Li+–Cs+, Ag+, Mg2+)
Alan Günther, Pablo Nieto, Giel Berden, Jos Oomens and Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Computational study of structural properties of lithium cation complexes with carbamate-modified disiloxanes
Steffen Jeschke, Hans-Dieter Wiemhöfer and Christian Mück-Lichtenfeld
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
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
Hydrogen-bonding in the pyrimidineNH3 van der Waals complex: experiment and theory
M. P. Gosling and M. C. R. Cockett
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Reductive activation and structural rearrangement in superoxide reductase: a combined infrared spectroscopic and computational study
M. Horch, A. F. Pinto, T. Utesch, M. A. Mroginski, C. V. Romão, M. Teixeira, P. Hildebrandt and I. Zebger
Phys. Chem. Chem. Phys., Vol: 16, No: 27 , published: 21 July 2014
Combination of the single-double–coupled-cluster and the configuration-interaction methods: Application to barium, lutetium, and their ions
V. A. Dzuba
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 18 July 2014
Rotational transitions induced by collisions of HD+ ions with low-energy electrons
O. Motapon, N. Pop, F. Argoubi, J. Zs Mezei, M. D. Epee Epee, A. Faure, M. Telmini, J. Tennyson, and I. F. Schneider
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 18 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
Spontaneous decay of an atom excited in a dense and disordered atomic ensemble: Quantum microscopic approach
A. S. Kuraptsev and I. M. Sokolov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 14 July 2014
Complexes formed between DNA and poly(amido amine) dendrimers of different generations – modelling DNA wrapping and penetration
Khawla Qamhieh, Tommy Nylander, Camilla F. Black, George S. Attard, Rita S. Dias and Marie-Louise Ainalem
Phys. Chem. Chem. Phys., Vol: 16, No: 26 , published: 14 July 2014
New ab initio potential energy surfaces for the ro-vibrational excitation of OH(X2Π) by He
Yulia Kalugina, François Lique and Sarantos Marinakis
Phys. Chem. Chem. Phys., Vol: 16, No: 26 , published: 14 July 2014
Quantum interference in two-photon frequency-comb spectroscopy
D. C. Yost, A. Matveev, E. Peters, A. Beyer, T. W. Hänsch, and Th. Udem
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 14 July 2014
Ion and electron spectroscopy of strontium in the vicinity of the two-photon-excited 5p21S0 state
A. Dimitriou and S. Cohen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 14 July 2014
Aqueous Fe2S2 cluster: structure, magnetic coupling, and hydration behaviour from Hubbard U density functional theory
Umberto Terranova and Nora H. de Leeuw
Phys. Chem. Chem. Phys., Vol: 16, No: 26 , published: 14 July 2014
Calcium-43 chemical shift and electric field gradient tensor interplay: a sensitive probe of structure, polymorphism, and hydration
Cory M. Widdifield, Igor Moudrakovski and David L. Bryce
Phys. Chem. Chem. Phys., Vol: 16, No: 26 , published: 14 July 2014
Specific rotation of monosaccharides: a global property bringing local information
Bruno A. França and Clarissa O. da Silva
Phys. Chem. Chem. Phys., Vol: 16, No: 26 , published: 14 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
A study on the versatility of metallacycles in host–guest chemistry: Interactions in halide-centered hexanuclear copper(II) pyrazolate complexes
Miguel Ponce-Vargas and Alvaro Muñoz-Castro
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
High energy conformers of M+(APE)(H2O)0–1Ar0–1 clusters revealed by combined IR-PD and DFT-MD anharmonic vibrational spectroscopy
V. Brites, A. L. Nicely, N. Sieffert, M.-P. Gaigeot and J. M. Lisy
Phys. Chem. Chem. Phys., Vol: 16, No: 26 , published: 14 July 2014
Non-linear infrared spectroscopy of the water bending mode: direct experimental evidence of hydration shell reorganization?
Lev Chuntonov, Revati Kumar and Daniel G. Kuroda
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
Комплексы лантаноидов со спин-меченым пиразолилхинолином
Е. В. Третьяков, С. В. Фокин, Е. М. Зуева, А. О. Ткачева, Г. В. Романенко, А. С. Богомяков,а С. В. Ларионов, С. А. Попов, В. И. Овчаренко
Изв. РАН. Сер. хим., Vol: 2014, No: 7 , published: 12 July 2014
Тиакаликс[4]аренсодержащие M2Ln2-комплексы (M = MnII, CoII; Ln = EuIII, PrIII): синтез, структура и магнитные свойства
С. М. Алдошин, Н. А. Санина, С. Е. Соловьева, И. С. Антипин, A. И. Дмитриев, Р. Б. Моргунов, Д. В. Корчагин, Г. В. Шилов, А. Н. Утенышев, К. В. Боженко
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
Механохимический синтез феноксииминных комплексов циркония и гафния состава L2МCl2 (L = N-(3,5-ди-трет-бутилсалицилиден)- 2,3,5,6-тетрафторанилинат-анион) и их каталитические свойства в реакции полимеризации этилена
В. Д. Махаев, Л. А. Петрова, Н. М. Бравая, Е. Е. Файнгольд, Е. В. Мухина, А. Н. Панин, С. Ч. Гагиева, В. А. Тускаев, Б. М. Булычев
Изв. РАН. Сер. хим., Vol: 2014, No: 7 , published: 12 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
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
Quenching of the 2pnd Po1 doubly excited states of helium by a dc electric field
K. Bučar, M. Žitnik, A. Mihelič, F. Penent, P. Lablanquie, J. Palaudoux, L. Andrić, M. Braune, and R. Püttner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 11 July 2014
Theoretical and experimental investigation of (e,2e) ionization of argon 3p in asymmetric kinematics at intermediate energy
Sadek Amami, Melike Ulu, Zehra Nur Ozer, Murat Yavuz, Suay Kazgoz, Mevlut Dogan, Oleg Zatsarinny, Klaus Bartschat, and Don Madison
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 11 July 2014
SeD radical as a probe for the measurement of the time variation of the fine-structure constant α and proton-to-electron mass ratio μ
Gaurab Ganguly, Avijit Sen, Manas Mukherjee, and Ankan Paul
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 10 July 2014
Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory
Michael Ruggenthaler, Johannes Flick, Camilla Pellegrini, Heiko Appel, Ilya V. Tokatly, and Angel Rubio
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 09 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
DoubleKvacancy states in electron-impact single ionization of metastable two-electron N5+(1s2s 3S1) ions
A. Müller, A. Borovik, Jr., K. Huber, S. Schippers, D. V. Fursa, and I. Bray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 09 July 2014
Relativistic equation-of-motion coupled-cluster method for the double-ionization potentials of closed-shell atoms
Himadri Pathak, Aryya Ghosh, B. K. Sahoo, B. P. Das, Nayana Vaval, and Sourav Pal
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 08 July 2014
Hybrid Gaussian–B-spline basis for the electronic continuum: Photoionization of atomic hydrogen
Carlos Marante, Luca Argenti, and Fernando Martín
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 08 July 2014
Predicting energies of small clusters from the inhomogeneous unitary Fermi gas
J. Carlson and S. Gandolfi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 08 July 2014
Measurement of the scalar third-order electric polarizability of the Cs ground state using coherent-population-trapping spectroscopy in Ramsey geometry
Jean-Luc Robyr, Paul Knowles, and Antoine Weis
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 07 July 2014
CH–π hydrogen bonds in biological macromolecules
Motohiro Nishio, Yoji Umezawa, Jacques Fantini, Manfred S. Weiss and Pinak Chakrabarti
Phys. Chem. Chem. Phys., Vol: 16, No: 25 , published: 07 July 2014
Characterization of organic fluorophores for in vivo FRET studies based on electroporated molecules
A. Plochowietz, R. Crawford and A. N. Kapanidis
Phys. Chem. Chem. Phys., Vol: 16, No: 25 , published: 07 July 2014
Dynamic control of Förster energy transfer in a photonic environment
Frank Schleifenbaum, Andreas M. Kern, Alexander Konrad and Alfred J. Meixner
Phys. Chem. Chem. Phys., Vol: 16, No: 25 , published: 07 July 2014
Hydrogen-bonded intermediates and transition states during spontaneous and acid-catalyzed hydrolysis of the carcinogen (+)-anti-BPDE
Mark C. Palenik and Jorge H. Rodriguez
Phys. Chem. Chem. Phys., Vol: 16, No: 25 , published: 07 July 2014
Aggregation of nitroaniline in tetrahydrofuran through intriguing H-bond formation by sodium borohydride
Mainak Ganguly, Chanchal Mondal, Anjali Pal, Saied Md Pratik, Jaya Pal and Tarasankar Pal
Phys. Chem. Chem. Phys., Vol: 16, No: 25 , published: 07 July 2014
Influence of quantum interference on the polarization and angular distribution of x-ray radiation following electron-impact excitation of highly charged H-like and He-like ions
Z. B. Chen, C. Z. Dong, L. Y. Xie, and J. Jiang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , 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
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
Diastereomeric preference of a triply axial chiral binaphthyl based molecule: a concentration dependent study by chiroptical spectroscopies
Zahra Dezhahang, Mohammad Reza Poopari, Florencio Eloy Hernández, Carlos Diaz and Yunjie Xu
Phys. Chem. Chem. Phys., Vol: 16, No: 25 , published: 07 July 2014
Doppler-corrected Balmer spectroscopy of Rydberg positronium
A. C. L. Jones, T. H. Hisakado, H. J. Goldman, H. W. K. Tom, A. P. Mills, Jr., and D. B. Cassidy
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 03 July 2014
Atomic properties of superheavy elements No, Lr, and Rf
V. A. Dzuba, M. S. Safronova, and U. I. Safronova
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 03 July 2014
Attosecond photoionization for reconstruction of bound-electron wave packets
Candong Liu, Zhinan Zeng, Ruxin Li, Zhizhan Xu, and Mauro Nisoli
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 03 July 2014
Absolute rate coefficients for photorecombination and electron-impact ionization of magnesiumlike iron ions from measurements at a heavy-ion storage ring
D. Bernhardt, A. Becker, M. Grieser, M. Hahn, C. Krantz, M. Lestinsky, O. Novotný, R. Repnow, D. W. Savin, K. Spruck, A. Wolf, A. Müller, and S. Schippers
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 03 July 2014
Universality and scaling in the N-body sector of Efimov physics
M. Gattobigio and A. Kievsky
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 02 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
Influence of relativistic effects on electron-loss cross sections of heavy and superheavy ions colliding with neutral atoms
Tolstikhina I.Yu., Tupitsyn I.I., Andreev S.N., Shevelko V.P.
Ж. эксперим. и теор. физ., Vol: 146, No: 1 , published: 01 July 2014
Ионизация и диссоциативная ионизация серы в газовой фазе электронным ударом
Завилопуло А.Н., Маркуш П.П., Шпеник О.Б., Микита М.И.
Ж. техн. физ., Vol: 84, No: 7 , published: 01 July 2014
Rotational Doppler velocimetry to probe the angular velocity of spinning microparticles
D. B. Phillips, M. P. Lee, F. C. Speirits, S. M. Barnett, S. H. Simpson, M. P. J. Lavery, M. J. Padgett, and G. M. Gibson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 90, No: 1 , published: 01 July 2014
Estimation of quantum states by weak and projective measurements
Debmalya Das and Arvind
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 30 June 2014
Avoided-crossing spectroscopy technique based on detection of atoms in metastable states
A. Mihelič, M. Žitnik, K. Bučar, L. Avaldi, and R. Richter
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 30 June 2014
Analytic model for the description of above-threshold ionization by an intense short laser pulse
M. V. Frolov, D. V. Knyazeva, N. L. Manakov, Ji-Wei Geng, Liang-You Peng, and Anthony F. Starace
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 30 June 2014
D-wave electron-H, He+, and Li2+ elastic scattering and photoabsorption in P states of two-electron systems
A. K. Bhatia
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 30 June 2014
Formation of anions and cations via a binary-encounter process in OH+ + Ar collisions: The role of dissociative excitation and statistical aspects
E. Lattouf, Z. Juhász, J.-Y. Chesnel, S. T. S. Kovács, E. Bene, P. Herczku, B. A. Huber, A. Méry, J.-C. Poully, J. Rangama, and B. Sulik
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 30 June 2014
Structure, ligands and substrate coordination of the oxygen-evolving complex of photosystem II in the S2 state: a combined EPR and DFT study
Thomas Lohmiller, Vera Krewald, Montserrat Pérez Navarro, Marius Retegan, Leonid Rapatskiy, Marc M. Nowaczyk, Alain Boussac, Frank Neese, Wolfgang Lubitz, Dimitrios A. Pantazis and Nicholas Cox
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
The angular overlap model extended for two-open-shell f and d electrons
Harry Ramanantoanina, Werner Urland, Fanica Cimpoesu and Claude Daul
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
Accounting for dye diffusion and orientation when relating FRET measurements to distances: three simple computational methods
Katarzyna Walczewska-Szewc and Ben Corry
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
Generalized approximate spin projection calculations of effective exchange integrals of the CaMn4O5 cluster in the S1 and S3 states of the oxygen evolving complex of photosystem II
H. Isobe, M. Shoji, S. Yamanaka, H. Mino, Y. Umena, K. Kawakami, N. Kamiya, J.-R. Shen and K. Yamaguchi
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
A reduced radial potential energy function for the halogen bond and the hydrogen bond in complexes BXY and BHX, where X and Y are halogen atoms
Anthony C. Legon
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
Intermolecular network analysis of the liquid and vapor interfaces of pentane and water: microsolvation does not trend with interfacial properties
Yasaman Ghadar and Aurora E. Clark
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 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
Oxygen-evolving complex of photosystem II: correlating structure with spectroscopy
Ravi Pokhrel and Gary W. Brudvig
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
Dinuclear manganese complexes for water oxidation: evaluation of electronic effects and catalytic activity
Wael A. A. Arafa, Markus D. Kärkäs, Bao-Lin Lee, Torbjörn Åkermark, Rong-Zhen Liao, Hans-Martin Berends, Johannes Messinger, Per E. M. Siegbahn and Björn Åkermark
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
Water oxidation by manganese oxides formed from tetranuclear precursor complexes: the influence of phosphate on structure and activity
Denys Shevchenko, Magnus F. Anderlund, Stenbjörn Styring, Holger Dau, Ivelina Zaharieva and Anders Thapper
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
Effects of hydrogen bonding interactions on the redox potential and molecular vibrations of plastoquinone as studied using density functional theory calculations
Ryota Ashizawa and Takumi Noguchi
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
Computational investigations on the catalytic mechanism of maleate isomerase: the role of the active site cysteine residues
Hisham M. Dokainish, Bogdan F. Ion and James W. Gauld
Phys. Chem. Chem. Phys., Vol: 16, No: 24 , published: 28 June 2014
Multichannel quantum-defect theory for magnetic Feshbach resonances in heteronuclear group-I systems
Constantinos Makrides and Bo Gao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 27 June 2014
Molecular-alignment dependence of collision-induced dissociation and electron capture in H2+ + He collisions
C. H. Liu, J. G. Wang, and R. K. Janev
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 27 June 2014
Auger spectra following inner-shell ionization of argon by a free-electron laser
A. O. G. Wallis, L. Lodi, and A. Emmanouilidou
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 25 June 2014
Absolute frequency measurement of the 6s6p1P16s7s1S0 transition of Yb174 in a Yb hollow-cathode lamp
Gwang Hoon Jang, Minsoo Na, Byunghyuck Moon, and Tai Hyun Yoon
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 25 June 2014
Scattering of free electrons by free electrons
J. F. Williams, S. Samarin, O. Targhagh, A. Hilton, K. Sudarshan, P. Guagliardo, L. Pravica, and O. Artamonov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 25 June 2014
Multiphoton states related via linear optics
Piotr Migdał, Javier Rodríguez-Laguna, Michał Oszmaniec, and Maciej Lewenstein
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 24 June 2014
Multiphoton states related via linear optics
Piotr Migdał, Javier Rodríguez-Laguna, Michał Oszmaniec, and Maciej Lewenstein
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 24 June 2014
Differential elastic electron-scattering cross sections of pyrimidine in the energy range between 20 eV and 1 keV
W. Y. Baek, M. U. Bug, and H. Rabus
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 24 June 2014
Spatially Selective Heteronuclear Multiple-Quantum Coherence Spectroscopy for Biomolecular NMR Studies
Bharathwaj Sathyamoorthy, David M. Parish, Gaetano T. Montelione, Rong Xiao, Thomas Szyperski
ChemPhysChem., Vol: 15, No: 9 , published: 23 June 2014
B-spline R-matrix-with-pseudostates calculations for electron-impact excitation and ionization of nitrogen
Yang Wang, Oleg Zatsarinny, and Klaus Bartschat
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 23 June 2014
Electron-impact total cross sections for phosphorous triflouride
Minaxi Vinodkumar, Chetan Limbachiya, Hardik Desai, and P. C. Vinodkumar
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 23 June 2014
Fully differential cross sections for electron-impact excitation-ionization of aligned D2
E. Ali, A. L. Harris, J. Lower, E. Weigold, C. G. Ning, and D. H. Madison
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 23 June 2014
Characterizing the B—P Stretching Vibration in Phosphorus-Substituted Phosphine Boranes
Dana N. Reinemann, Gregory S. Tschumper, Nathan I. Hammer
ChemPhysChem., Vol: 15, No: 9 , published: 23 June 2014
The nuclear electric quadrupole moment of copper
Régis Tadeu Santiago, Tiago Quevedo Teodoro and Roberto Luiz Andrade Haiduke
Phys. Chem. Chem. Phys., Vol: 16, No: 23 , published: 21 June 2014
New studies on molecular chirality in the gas phase: enantiomer differentiation and determination of enantiomeric excess
David Patterson and Melanie Schnell
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
Analysis of hydrogen bond energies and hydrogen bonded networks in water clusters (H2O)20 and (H2O)25 using the charge-transfer and dispersion terms
Suehiro Iwata
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
Interaction in the indoleimidazole heterodimer: structure, Franck–Condon analysis and energy decomposition
J. Grant Hill and Aloke Das
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
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
Femtosecond spectroscopy reveals huge differences in the photoisomerisation dynamics between azobenzenes linked to polymers and azobenzenes in solution
Julia Bahrenburg, Falk Renth, Friedrich Temps, Felix Plamper and Walter Richtering
Phys. Chem. Chem. Phys., Vol: 16, No: 23 , published: 21 June 2014
Description of heteroaromaticity on the basis of π-electron density anisotropy
Rohoullah Firouzi and Sahar Sharifi Ardani
Phys. Chem. Chem. Phys., Vol: 16, No: 23 , published: 21 June 2014
A σ-hole interaction with radical species as electron donors: does single-electron tetrel bonding exist?
Qingzhong Li, Xin Guo, Xin Yang, Wenzuo Li, Jianbo Cheng and Hai-Bei Li
Phys. Chem. Chem. Phys., Vol: 16, No: 23 , published: 21 June 2014
Theoretical triple-differential cross sections of a methane molecule by a proper-average method
Hari Chaluvadi, C. G. Ning, and Don Madison
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 20 June 2014
Implementation and application of the relativistic equation-of-motion coupled-cluster method for the excited states of closed-shell atomic systems
D. K. Nandy, Yashpal Singh, and B. K. Sahoo
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 19 June 2014
Magneto-optic spectroscopy with linearly polarized modulated light: Theory and experiment
G. Bevilacqua and E. Breschi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 18 June 2014
Dynamics of the transition from polarization disorder to antiphase polarization domains in vector fiber lasers
Caroline Lecaplain, Philippe Grelu, and Stefan Wabnitz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 16 June 2014
Theoretical prediction of the binding of a positron to a formaldehyde molecule using a first-principles calculation
Yurika Yamada, Yukiumi Kita, and Masanori Tachikawa
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 16 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
The non-covalent nature of the molecular structure of the benzene molecule
Thiago Messias Cardozo, Felipe Fantuzzi and Marco Antonio Chaer Nascimento
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 June 2014
Muon spin spectroscopy of ferrocene: characterization of muoniated ferrocenyl radicals
Iain McKenzie
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 June 2014
The aromatic character of thienopyrrole-modified 20π-electron porphyrinoids
Rashid R. Valiev, Heike Fliegl and Dage Sundholm
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
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
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
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
The effect of atomic ions on model σ-hole bonded complexes of AH3Y (A = C, Si, Ge; Y = F, Cl, Br)
Sean A. C. McDowell and Jerelle A. Joseph
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
Rate constants for collisional quenching of NO (A2Σ+, v = 0) by He, Ne, Ar, Kr, and Xe, and infrared emission accompanying rare gas and impurity quenching
Julian Few and Gus Hancock
Phys. Chem. Chem. Phys., Vol: 16, No: 22 , published: 14 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
Calculation of the polarization of light emitted during electron-impact excitation of Ba+
Christopher J. Bostock, Dmitry V. Fursa, and Igor Bray
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 13 June 2014
Double ionization of He by ion impact: Second-order contributions to the fully differential cross section
S. D. López, S. Otranto, and C. R. Garibotti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 13 June 2014
Trapping ions from a fast beam in a radio-frequency ion trap: The relaxation of the ion cloud and its resulting column density
Annette Svendsen, Kristian M. E. Nielsen, and Henrik B. Pedersen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 12 June 2014
Zeeman interaction in ThO H3Δ1 for the electron electric-dipole-moment search
A. N. Petrov, L. V. Skripnikov, A. V. Titov, N. R. Hutzler, P. W. Hess, B. R. O'Leary, B. Spaun, D. DeMille, G. Gabrielse, and J. M. Doyle
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 11 June 2014
Atom trapping and spectroscopy in cavity-generated optical potentials
Yun-Jhih Chen, Stefan Zigo, and Georg Raithel
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 10 June 2014
QED effects in scattering processes involving atomic bound states: Radiative recombination
Ingvar Lindgren, Sten Salomonson, and Johan Holmberg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 10 June 2014
Collision-induced dissociation of protonated water clusters
F. Berthias, V. Buridon, H. Abdoul-Carime, B. Farizon, M. Farizon, P. M. Dinh, P.-G. Reinhard, E. Suraud, and T. D. Märk
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 09 June 2014
Collision-induced dissociation of protonated water clusters
F. Berthias, V. Buridon, H. Abdoul-Carime, B. Farizon, M. Farizon, P. M. Dinh, P.-G. Reinhard, E. Suraud, and T. D. Märk
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 09 June 2014
Dissociation mechanisms of the Ar trimer induced by a third atom in high-energy electron-impact ionization
S. Yan, P. Zhang, X. Ma, S. Xu, S. X. Tian, B. Li, X. L. Zhu, W. T. Feng, and D. M. Zhao
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 09 June 2014
Simulations of ion guiding through a straight macrocapillary: Interpretation of an experiment and comparison with nanocapillaries
N. Stolterfoht
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 09 June 2014
Gd3+ spin labeling for distance measurements by pulse EPR spectroscopy
Daniella Goldfarb
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Where macro meets micro
R. Stephen Berry, Boris M. Smirnov
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters
R. B. Gerber, D. Shemesh, M. E. Varner, J. Kalinowski,  B. Hirshberg
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Comparative dynamics of the two channels of the reaction of D + MuH
F. J. Aoiz, J. Aldegunde, V. J. Herrero, V. Sáez-Rábanos
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy
R. Chaudret, B. de Courcy, J. Contreras-García, E. Gloaguen, A. Zehnacker-Rentien, M. Mons, J.-P. Piquemal
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers
Teresa Fornaro, Malgorzata Biczysko, Susanna Monti,  Vincenzo Barone
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 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
Advanced magnetic resonance strategies for the elucidation of nanostructured soft matter
R. Graf, M. R. Hansen, D. Hinderberger, K. Muennemann, H. W. Spiess
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Control of conformers combining cooling by supersonic expansion of seeded molecular beams with hexapole selection and alignment: experiment and theory on 2-butanol
Federico Palazzetti, Glauciete S. Maciel, Keita Kanda, Masaaki Nakamura, Dock-Chil Che, Toshio Kasai, Vincenzo Aquilanti
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
Directions of chemical change: experimental characterization of the stereodynamics of photodissociation and reactive processes
Toshio Kasai, Dock-Chil Che, Michio Okada, Po-Yu Tsai, King-Chuen Lin, Federico Palazzetti, Vincenzo Aquilanti
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
Structural and dynamical characteristics of trehalose and sucrose matrices at different hydration levels as probed by FTIR and high-field EPR
M. Malferrari, A. Nalepa, G. Venturoli, F. Francia, W. Lubitz, K. Möbius, A. Savitsky
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
The Raman spectrum of isolated water clusters
Katharina E. Otto, Zhifeng Xue, Philipp Zielke, Martin A. Suhm
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Local silico-aluminophosphate interfaces within phosphated H-ZSM-5 zeolites
Hendrik E. van der Bij, Bert M. Weckhuysen
Phys. Chem. Chem. Phys., Vol: 16, No: 21 , published: 07 June 2014
Measuring the Brønsted acid strength of zeolites – does it correlate with the O–H frequency shift probed by a weak base?
Carlos O. Arean, Montserrat R. Delgado, Petr Nachtigall, Ho Viet Thang, Miroslav Rubeš, Roman Bulánek, Pavla Chlubná-Eliášová
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
Positronium formation from positron impact on hydrogen and helium targets
T. C. Naginey, Eric W. Stacy, B. B. Pollock, H. R. J. Walters, and Colm T. Whelan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 06 June 2014
Nonadiabatic treatment of hydrogen-antihydrogen collisions
Konrad Piszczatowski, Alexei Voronin, and Piotr Froelich
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 05 June 2014
Detection of barium 6sng6snh, 6sni, and 6snk microwave transitions using selective excitation to autoionizing states
E. G. Kim, J. Nunkaew, and T. F. Gallagher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 05 June 2014
Prospects for transferring 87Rb84Sr dimers to the rovibrational ground state based on calculated molecular structures
Tao Chen, Shaobing Zhu, Xiaolin Li, Jun Qian, and Yuzhu Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 04 June 2014
Role of two-electron excitation-ionization processes in the ionization of lithium atoms by fast ion impact
T. Kirchner, N. Khazai, and L. Gulyás
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 6 , published: 04 June 2014
Прецизионная спектроскопия атомов магния в магнитооптической ловушке
А. Н. Гончаров, А. Э. Бонерт, Д. В. Бражников, А. М. Шилов, С. Н. Багаев
Квант. электрон., Vol: 44, No: 6 , published: 01 June 2014
Intramolecular Interactions of Trityl Groups
Jacek Ściebura, Agnieszka Janiak, Agata Stasiowska, Jakub Grajewski, Krystyna Gawrońska,  Urszula Rychlewska,  Jacek Gawroński
ChemPhysChem., Vol: 15, No: 8 , published: 01 June 2014
Electronic Structure of N2P2 Four-Membered Rings
Daniel Escudero, Antonio Frontera,  Rainer Streubel
ChemPhysChem., Vol: 15, No: 8 , published: 01 June 2014
Mechanism of Dissolution of a Lithium Salt in an Electrolytic Solvent in a Lithium Ion Secondary Battery: A Direct Ab Initio Molecular Dynamics (AIMD) Study
Hiroto Tachikawa
ChemPhysChem., Vol: 15, No: 8 , published: 01 June 2014
Framework Stability and Brønsted Acidity of Isomorphously Substituted Interlayer-Expanded Zeolite COE-4: A Density Functional Theory Study
Haichao Li, Danhong Zhou, Dongxu Tian, Chuan Shi, Ulrich Müller, Mathias Feyen, Bilge Yilmaz, Hermann Gies, Feng-Shou Xiao, Dirk De Vos,  Toshiyuki Yokoi,  Takashi Tatsumi,  Xinhe Bao, Weiping Zhang
ChemPhysChem., Vol: 15, No: 8 , published: 01 June 2014
Ultrafast Two-Dimensional NMR Relaxometry for Investigating Molecular Processes in Real Time
Susanna Ahola, Ville-Veikko Telkki
ChemPhysChem., Vol: 15, No: 8 , published: 01 June 2014
Вторичное лазерное охлаждение и удержание в ловушках атомов тулия
Д. Д. Сукачёв, Е. С. Калганова, А. В. Соколов, С. А. Федоров, Г. А. Вишнякова, А. В. Акимов, Н. Н. Колачевский, В. Н. Сорокин
Квант. электрон., Vol: 44, No: 6 , published: 01 June 2014
Фемтосекундная спектроскопия перспективных материалов
С.В. Чекалин
Успехи физ. наук, Vol: 184, No: 6 , 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
Структура изомеров кластеров титана TiN (N=6- 15)
Панькин Н.А.
Ж. эксперим. и теор. физ., Vol: 145, No: 6 , published: 01 June 2014
Эффекты сопряжения в молекуле пара-нитроанилина и его структурная нежесткость
И. В. Ананьев, К. А. Лысенко
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 строение 2-(4´(3H)-хиназолинон-2´-ил)-1,3-трополона
Ю. А. Саяпин, Е. А. Гусаков, А. А. Колодина, В. Н. Комиссаров, И. В. Дороган, В. В. Ткачев, Г. В. Шилов, Э. В. Носова, С. М. Алдошин, В. Н. Чарушин, В. И. Минкин
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
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
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
Квантово-химическое моделирование влияния природы лиганда «μ-SCN»-типа на редокс-свойства нитрозильных комплексов железа
Н. С. Емельянова, Н. А. Санина, Е. В. Князькина, А. Г. Кривенко, Р. А. Манжос, С. М. Алдошин
Изв. РАН. Сер. хим., Vol: 2014, No: 6 , published: 01 June 2014
Механизм передачи кислорода от комплексов ванадия(V) с лигандами О22– и О32
А. А. Марков, Г. Ф. Шарифуллина, С. П. Долин, Н. И. Моисеева, А. Е. Гехман, И. И. Моисеев
Изв. РАН. Сер. хим., Vol: 2014, No: 6 , published: 01 June 2014
Квантово-химическое исследование сульфирования пиррола пиридинсульфотриоксидом
Л. И. Беленький, И. Д. Нестеров, Н. Д. Чувылкин
Изв. РАН. Сер. хим., Vol: 2014, No: 6 , published: 01 June 2014
Структура и магнитные свойства новых трехъядерных комплексов CoII, NiII и CuII c анионами триметилуксусной и 1,1-циклогександиуксусной кислот
Н. В. Гоголева, Е. Н. Зорина-Тихонова, Н. Н. Ефимов, Е. А. Уголкова, А. С. Богомяков, С. В. Колотилов, М. А. Кискин, Г. Г. Александров, В. В. Минин, А. А. Сидоров, В. М. Новоторцев, И. Л. Еременко
Изв. РАН. Сер. хим., Vol: 2014, No: 6 , published: 01 June 2014
Синтез, структура и электропроводность солей бис(этилендитио)тетратиафульвалена (BEDT-TTF) и бис(метилендитио)тетратиафульвалена (BMDT-TTF) с 8,8´-дихлор-3,3´-бис(1,2-дикарболлид)кобальтом
О. Н. Кажева, А. В. Кравченко, Г. Г. Александров, И. Б. Сиваев, В. И. Брегадзе, И. Д. Косенко, И. А. Лобанова, Л. И. Буравов, В. А. Стародуб, О. А. Дьяченко
Изв. РАН. Сер. хим., Vol: 2014, 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
Catalytic Efficacy of Copper(II)– and Cobalt(III)–Schiff Base Complexes in Alkene Epoxidation
Monami Maiti, Dipali Sadhukhan, Santarupa Thakurta, Ennio Zangrando, Guillaume Pilet, Sandra Signorella, Sebastián Bellú, Samiran Mitra
Bull. Chem. Soc. Jpn., Vol: 87, No: 6 , published: 01 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
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
Atomic and Electronic Structures of Interfaces in Dye-Sensitized, Nanostructured Solar Cells
Erik M. J. Johansson, Rebecka Lindblad, Hans Siegbahn, Anders Hagfeldt, Håkan Rensmo
ChemPhysChem., Vol: 15, No: 6 , published: 01 June 2014
Two-dimensional pseudospectral Hartree-Fock method for low-Z atoms in intense magnetic fields
Anand Thirumalai and Jeremy S. Heyl
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 30 May 2014
Few-body bound states of dipole-dipole-interacting Rydberg atoms
Martin Kiffner, Mingxia Huo, Wenhui Li, and Dieter Jaksch
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 5 , published: 30 May 2014
Theoretical study of (e,2e) from outer- and inner-valence orbitals of