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   Atoms and molecules.
      Intermolecular forces.
         Intermolecular interaction.
            Molecular compounds and clusters.
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
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
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
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
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
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
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 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Observable-targeting global cluster structure optimization
Johannes M. Dieterich and Bernd Hartke
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
Density Functional Theory and Hydrogen Bonds: Are We There Yet?
A. Daniel Boese
ChemPhysChem., Vol: 16, No: 5 , published: 01 May 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
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
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
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
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
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
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
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
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
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
Physisorption and Chemisorption on Silver Clusters
Martin Schmidt, Albert Masson, Hai-Ping Cheng, Catherine Bréchignac
ChemPhysChem., Vol: 16, No: 4 , published: 16 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
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
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
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
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
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
Metallofullerenes Encaging Mixed-Metal Clusters: Synthesis and Structural Studies of GdxHo3−xN@C80 and GdxLu3−xN@C80
Zhuxia Zhang, Yang Liu, Peide Han, Shengyi Zhuang, Taishan Wang, Shuchang Luo, Bingshe Xu
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
Quantum Mechanical Molecular Interactions for Calculating the Excitation Energy in Molecular Environments: A First-Order Interacting Space Approach
Jun-ya Hasegawa, Kazuma Yanai, Kazuya Ishimura
ChemPhysChem., Vol: 16, No: 2 , published: 02 February 2015
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
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
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
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
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
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
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
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
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
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 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
On the structure of the thiolated Au6Ag7 cluster
Alfredo Tlahuice-Flores
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Структура изомеров кластеров титана TiN (N=6- 15)
Панькин Н.А.
Ж. эксперим. и теор. физ., Vol: 145, No: 6 , published: 01 June 2014
Isomer-selective infrared spectroscopy of the cationic trimethylamine dimer to reveal its charge sharing and enhanced acidity of the methyl groups
Yoshiyuki Matsuda, Yuichiro Nakayama, Naohiko Mikami and Asuka Fujii
Phys. Chem. Chem. Phys., Vol: 16, No: 20 , published: 28 May 2014
Photoionization of clusters in intense few-cycle near infrared femtosecond pulses
S. R. Krishnan, R. Gopal, R. Rajeev, J. Jha, V. Sharma, M. Mudrich, R. Moshammer, M. Krishnamurthy
Phys. Chem. Chem. Phys., Vol: 16, No: 19 , published: 21 May 2014
Theoretical study of small sodium–potassium alloy clusters through genetic algorithm and quantum chemical calculations
Mateus X. Silva, Breno R. L. Galvão, Jadson C. Belchior
Phys. Chem. Chem. Phys., Vol: 16, No: 19 , published: 21 May 2014
Skin-resolved local bond contraction, core electron entrapment, and valence charge polarization of Ag and Cu nanoclusters
Shideh Ahmadi, Xi Zhang, Yinyan Gong, Chin Hua Chia, Chang Q. Sun
Phys. Chem. Chem. Phys., Vol: 16, No: 19 , published: 21 May 2014
Metal Nanoparticles with Liquid-Crystalline Ligands: Controlling Nanoparticle Superlattice Structure and Properties
Wiktor Lewandowski, Michał Wójcik, Ewa Górecka
ChemPhysChem., Vol: 15, No: 7 , published: 19 May 2014
IR spectroscopy of pyridine–water structures in helium nanodroplets
Pablo Nieto, Melanie Letzner, Torsten Endres, Gerhard Schwaab, Martina Havenith
Phys. Chem. Chem. Phys., Vol: 16, No: 18 , published: 14 May 2014
Structure and properties of bimetallic titanium and vanadium oxide clusters
Benjamin Helmich, Marek Sierka, Jens Döbler, Joachim Sauer
Phys. Chem. Chem. Phys., Vol: 16, No: 18 , published: 14 May 2014
A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4 (M = Li, Na, K, Rb, Cu, Ag and Au)
Bráulio Gabriel A. Brito, G.-Q. Hai, J. N. Teixeira Rabelo, Ladir Cândido
Phys. Chem. Chem. Phys., Vol: 16, No: 18 , published: 14 May 2014
A computational study of ‘Al-kanes’ and ‘Al-kenes’
Benjamin J. Irving and Fedor Y. Naumkin
Phys. Chem. Chem. Phys., Vol: 16, No: 17 , published: 07 May 2014
Gold chloride clusters with Au(III) and Au(I) probed by FT-ICR mass spectrometry and MP2 theory
Kono H. Lemke
Phys. Chem. Chem. Phys., Vol: 16, No: 17 , published: 07 May 2014
Microsolvation of the acetanilide cation (AA+) in a nonpolar solvent: IR spectra of AA+–Ln clusters (L = He, Ar, N2; n ≤ 10)
Matthias Schmies, Alexander Patzer, Markus Schütz, Mitsuhiko Miyazaki, Masaaki Fujii and Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 16, No: 17 , published: 07 May 2014
A size resolved investigation of large water clusters
Udo Buck, Christoph C. Pradzynski, Thomas Zeuch, Johannes M. Dieterich, Bernd Hartke
Phys. Chem. Chem. Phys., Vol: 16, No: 15 , published: 21 April 2014
Elucidating the mechanism behind the stabilization of multi-charged metal cations in water: a case study of the electronic states of microhydrated Mg2+, Ca2+ and Al3+
Evangelos Miliordos,  Sotiris S. Xantheas
Phys. Chem. Chem. Phys., Vol: 16, No: 15 , published: 21 April 2014
Anisotropic charge-transfer effects in the asymmetric Fe(CN)5NO octahedron of sodium nitroprusside: a soft X-ray absorption spectroscopy study
Ysuke Nanba, Daisuke Asakura, Masashi Okubo, Haoshen Zhou, Kenta Amemiya, Kozo Okada, Per-Anders Glans, Catherine A. Jenkins, Elke Arenholz,  Jinghua Guo
Phys. Chem. Chem. Phys., Vol: 16, No: 15 , published: 21 April 2014
Structures of Medium-Sized Ruthenium Clusters: The Octahedral Motif
Eugen Waldt, Reinhart Ahlrichs, Manfred M. Kappes, Detlef Schooss
ChemPhysChem., Vol: 15, No: 5 , published: 04 April 2014
Clusters of Ammonium Cation—Hydrogen Bond versus σ-Hole Bond
Sławomir J. Grabowski
ChemPhysChem., Vol: 15, No: 5 , published: 04 April 2014
Complexes containing CO2 and SO2. Mixed dimers, trimers and tetramers
Luis Miguel Azofra, Steve Scheiner
Phys. Chem. Chem. Phys., Vol: 16, No: 11 , published: 21 March 2014
Photoelectron spectroscopy and density functional study of ConC2 (n = 1–5) clusters
Jin-Yun Yuan, Hong-Guang Xu, Wei-Jun Zheng
Phys. Chem. Chem. Phys., Vol: 16, No: 11 , published: 21 March 2014
Competitive pi interactions and hydrogen bonding within imidazolium ionic liquids
Richard P. Matthews, Tom Welton and Patricia A. Hunt
Phys. Chem. Chem. Phys., Vol: 16, No: 7 , published: 21 February 2014
Formation of water–chlorophyll clusters in dilute samples of chlorophyll-a in ether at low temperature
Jeffrey R. Reimers, Zheng-Li Cai, Rika Kobayashi, Margus Rätsep, Arvi Freiberg,  Elmars Krausz
Phys. Chem. Chem. Phys., Vol: 16, No: 6 , published: 14 February 2014
Non-equivalent conformations of D-amino acid oxidase dimer from porcine kidney between the two subunits. Molecular dynamics simulation and photoinduced electron transfer
Arthit Nueangaudom, Kiattisak Lugsanangarm, Somsak Pianwanit, Sirirat Kokpol, Nadtanet Nunthaboot, Fumio Tanaka
Phys. Chem. Chem. Phys., Vol: 16, No: 5 , published: 07 February 2014
Lifetime Shortening and Fast Energy-Tansfer Processes upon Dimerization of a A-π-D-π-A Molecule
Elisabetta Collini, Luca Bolzonello, Mirco Zerbetto, Camilla Ferrante, Norberto Manfredi, Alessandro Abbotto
ChemPhysChem., Vol: 15, No: 2 , published: 03 February 2014
The Geometric Structure of Silver-Doped Silicon Clusters
Yejun Li,  Jonathan T. Lyon, Alex P. Woodham, André Fielicke,  Ewald Janssens
ChemPhysChem., Vol: 15, No: 2 , published: 03 February 2014
Строение кристаллического N,N-дипропилдитиокарбамата висмута(III) [Bi{S2CN(C3H7)2}3] по данным MAS ЯМР 13С, 15N и РСА: супрамолекулярная самоорганизация и конформационная изомерия
А. В. Иванов, И. В. Егорова, М. А. Иванов, О. Н. Анцуткин, Р. С. Цвых
Докл. РАН, Vol: 454, No: 2 , published: 11 January 2014
Study of the Diradicaloid Character in a Prototypical Pancake-Bonded Dimer: The Stacked Tetracyanoethylene (TCNE) Anion Dimer and the Neutral K2TCNE2 Complex
Zhong-hua Cui, Hans Lischka, Thomas Mueller, Felix Plasser, Miklos Kertesz
ChemPhysChem., Vol: 15, No: 1 , published: 01 January 2014
Indenyl Effect Due to Metal Slippage? Computational Exploration of Rhodium-Catalyzed Acetylene [2+2+2] Cyclotrimerization
Laura Orian, Marcel Swart, F. Matthias Bickelhaupt
ChemPhysChem., Vol: 15, No: 1 , published: 01 January 2014
Hydrogen mimicking the properties of coinage metal atoms in Cu and Ag monohydride clusters
Karsten Vetter, Sebastian Proch, Gerd. F. Ganteför, Swayamprabha Behera and Puru Jena
Phys. Chem. Chem. Phys., Vol: 15, No: 48 , published: 28 December 2013
On the structure of the thiolated Au15 cluster
Alfredo Tlahuice-Flores, Miguel Jose-Yacamán and Robert L. Whetten
Phys. Chem. Chem. Phys., Vol: 15, No: 45 , published: 07 December 2013
Evaluation of photodissociation spectroscopy as a structure elucidation tool for isolated clusters: a case study of Ag4+ and Au4+
A. Shayeghi, R. L. Johnston and R. Schäfer
Phys. Chem. Chem. Phys., Vol: 15, No: 45 , published: 07 December 2013
Far-infrared spectra of well-defined thiolate-protected gold clusters
Igor Dolamic, Birte Varnholt and Thomas Bürgi
Phys. Chem. Chem. Phys., Vol: 15, No: 45 , published: 07 December 2013
Nanostructures from Self-Assembling Triazine Tertiary Amine N-Oxide Amphiphiles
Matthew P. Beecham, Guy J. Clarkson, Gareth Hall, Andrew Marsh
ChemPhysChem., Vol: 14, No: 17 , published: 02 December 2013
Toward the creation of stable, functionalized metal clusters
Yuichi Negishi, Wataru Kurashige, Yoshiki Niihori, Katsuyuki Nobusada
Phys. Chem. Chem. Phys., Vol: 15, No: 43 , published: 21 November 2013
Ribbon aromaticity in double-chain planar BnH22− and Li2BnH2 nanoribbon clusters up to n = 22: lithiated boron dihydride analogues of polyenes
Hui Bai, Qiang Chen, Chang-Qing Miao, Yue-Wen Mu, Yan-Bo Wu, Hai-Gang Lu, Hua-Jin Zhai,  Si-Dian Li
Phys. Chem. Chem. Phys., Vol: 15, No: 43 , published: 21 November 2013
Proton-bound dimers of 1-methylcytosine and its derivatives: vibrational and NMR spectroscopy
Hou U. Ung, Aaron R. Moehlig, Ryan A. Kudla, Leonard J. Mueller, Jos Oomens, Giel Berden, Thomas Hellman Morton
Phys. Chem. Chem. Phys., Vol: 15, No: 43 , published: 21 November 2013
Coinage metal exciplexes with helium atoms: a theoretical study of M*(2L)Hen (M = Cu, Ag, Au; L = P,D)
Fausto Cargnoni, Alessandro Ponti and Massimo Mella
Phys. Chem. Chem. Phys., Vol: 15, No: 42 , published: 14 November 2013
The origin of the strong interfacial charge-transfer absorption in the surface complex between TiO2 and dicyanomethylene compounds
Ryota Jono, Jun-ichi Fujisawa, Hiroshi Segawa and Koichi Yamashita
Phys. Chem. Chem. Phys., Vol: 15, No: 42 , published: 14 November 2013
A Density Functional Analysis on Formation of Rubidium and Cesium Atomic Clusters in the Highest Spin State
Xuan Liu, Haruhiko Ito, Eiko Torikai
Bull. Chem. Soc. Jpn., Vol: 86, No: 11 , published: 01 November 2013
Fluorescent Silver Nanoclusters in Condensed DNA
Ivan L. Volkov, Ruslan R. Ramazanov, Evgeniy V. Ubyivovk, Valerij I. Rolich, Alexei I. Kononov, Nina A. Kasyanenko
ChemPhysChem., Vol: 14, No: 15 , published: 21 October 2013
Assessment of binding energies of atmospherically relevant clusters
Jonas Elm, Merete Bilde, Kurt V. Mikkelsen
Phys. Chem. Chem. Phys., Vol: 15, No: 39 , published: 21 October 2013
On the stability of cationic complexes of neon with helium – solving an experimental discrepancy
Peter Bartl, Stephan Denifl, Paul Scheier, Olof Echt
Phys. Chem. Chem. Phys., Vol: 15, No: 39 , published: 21 October 2013
Anharmonic vibrations of N–H in Cl(N-methylacetamide)1(H2O)0–2Ar2 cluster ions. Combined IRPD experiments and BOMD simulations
Jordan P. Beck, Marie-Pierre Gaigeot, James M. Lisy
Phys. Chem. Chem. Phys., Vol: 15, No: 39 , published: 21 October 2013
All-Metal Clusters that Mimic the Chemistry of Halogens
Tianshan Zhao, Yawei Li, Qian Wang, Puru Jena
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Anomalous Property of Ag(BO2)2 Hyperhalogen: Does Spin–Orbit Coupling Matter?
Hui Chen, Xiang-Yu Kong, Weijun Zheng, Jiannian Yao, Anil K. Kandalam, Puru Jena
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Computational Study of the One- and Two-Dimensional Infrared Spectra of a Proton-Transfer Mode in a Hydrogen-Bonded Complex Dissolved in a Polar Nanocluster
Chia Shen Sow, Joseph Tomkins, Gabriel Hanna
ChemPhysChem., Vol: 14, No: 14 , published: 07 October 2013
Квантово-химическое исследование метатезиса бутана на смешанных комплексах хлоридов алюминия и кобальта
М. И. Шилина, И. П. Глориозов, Г. М. Жидомиров
Изв. РАН. Сер. хим., Vol: 2013, No: 10 , published: 01 October 2013
Morphology and atomic-scale structure of single-layer WS2 nanoclusters
Henrik G. Füchtbauer, Anders K. Tuxen, Poul G. Moses, Henrik Topsøe, Flemming Besenbacher, Jeppe V. Lauritsen
Phys. Chem. Chem. Phys., Vol: 15, No: 38 , published: 14 September 2013
Proton transfer or hemibonding? The structure and stability of radical cation clusters
Hainam Do, Nicholas A. Besley
Phys. Chem. Chem. Phys., Vol: 15, No: 38 , published: 14 September 2013
Weakly bound PTCDI and PTCDA dimers studied by using MP2 and DFT methods with dispersion correction
Mircea Oltean, George Mile, Mihai Vidrighin, Nicolae Leopold and Vasile Chiş
Phys. Chem. Chem. Phys., Vol: 15, No: 33 , published: 07 September 2013
The structural and electronic properties of tubular gold clusters with a spinal support
Priyanka and Keya Dharamvir
Phys. Chem. Chem. Phys., Vol: 15, No: 29 , published: 07 August 2013
Первые медькарборановые коммо-кластеры на основе среднего nido-5,6-С2В8Н12-карборана и молекулярная структура [Ph3PEt][commo-9,9´-Cu(nido-7,8-C2B8H11)2]
Ф. М. Долгушин, Е. В. Балагурова, И. В. Писарева, И. А. Годовиков, И. Г. Бараковская, И. Т. Чижевский
Изв. РАН. Сер. хим., Vol: 2013, No: 8 , published: 01 August 2013
Structural investigation of microhydrated thymine clusters and vibrational study of isolated and aqueous forms of thymine using DFT level of theory
Sandrine Thicoipe, Philippe Carbonnière, Claude Pouchan
Phys. Chem. Chem. Phys., Vol: 15, No: 28 , published: 28 July 2013
Binding energy determination in a π-stacked aromatic cluster: the anisole dimer
F. Mazzoni, M. Pasquini, G. Pietraperzia, M. Becucci
Phys. Chem. Chem. Phys., Vol: 15, No: 27 , published: 21 July 2013
Nuclear spin–spin coupling anisotropy in the van der Waals-bonded 129Xe dimer
Jukka Jokisaari, Juha Vaara
Phys. Chem. Chem. Phys., Vol: 15, No: 27 , published: 21 July 2013
Reaction selectivity in an ionized water dimer: nonadiabatic ab initio dynamics simulations
Ondřej Svoboda, Daniel Hollas, Milan Ončák, Petr Slavíček
Phys. Chem. Chem. Phys., Vol: 15, No: 27 , published: 21 July 2013
Femtisecond single-mole infrared spectroscopy of molecular clusters
M. A. Suhm,  F. Kollipost
Phys. Chem. Chem. Phys., Vol: 15, No: 26 , published: 14 July 2013
A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)13 nanocluster
Jon M. Azpiroz, Jon M. Matxain, Ivan Infante, Xabier Lopez, Jesus M. Ugalde
Phys. Chem. Chem. Phys., Vol: 15, No: 26 , published: 14 July 2013
Structural characterization of small Xe clusters using their 5s correlation satellite electron spectrum
Minna Patanen, Christophe Nicolas, Xiao-Jing Liu, Oksana Travnikova and Catalin Miron
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Solvent states and spectroscopy of doped helium clusters as a quantum-chemistry-like problem
Néstor F. Aguirre, Pablo Villarreal, Gerardo Delgado-Barrio, Alexander O. Mitrushchenkov and María Pilar de Lara-Castells
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Chirality-dependent balance between hydrogen bonding and London dispersion in isolated (±)-1-indanol clusters
Jonas Altnöder, Aude Bouchet, Juhyon J. Lee, Katharina E. Otto, Martin A. Suhm and Anne Zehnacker-Rentien
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Unraveling the internal dynamics of the benzene dimer: a combined theoretical and microwave spectroscopy study
Melanie Schnell, Undine Erlekam, P. R. Bunker, Gert von Helden, Jens-Uwe Grabow, Gerard Meijer and Ad van der Avoird
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Infrared photodissociation spectra of mass selected homoleptic nickel carbonyl cluster cations in the gas phase
Jieming Cui, Guanjun Wang, Xiaojie Zhou, Chaoxian Chi, Zhen Hua Li, Zhipan Liu and Mingfei Zhou
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Проблемы стереоселективности в реакциях [2+2]-циклодимеризации норборнадиена, катализируемой гидридными комплексами никеля(I). Теоретические аспекты
Р. С. Шамсиев, Ха Нгок Тхиен, В. Р. Флид
Изв. РАН. Сер. хим., Vol: 2013, No: 7 , published: 01 July 2013
Synthesis and Characterization of Oxygen/Sulfur-Bridged Incomplete Cubane-Type Clusters, [M3S4(Tpe)3]+ and [M3OS3(Tpe)3]+ (M = Mo and W), and a Mixed-Metal Cubane-Type Cluster, [Mo3PdS4Cl(Tpe)3]
Ryouichi Yoshida, Takashi Shibahara, Haruo Akashi
Bull. Chem. Soc. Jpn., Vol: 86, No: 7 , published: 01 July 2013
Structures of hydrogen bond networks formed by a few tens of methanol molecules in the gas phase: size-selective infrared spectroscopy of neutral and protonated methanol clusters
Tomohiro Kobayashi, Ryunosuke Shishido, Kenta Mizuse, Asuka Fujii, Jer-Lai Kuo
Phys. Chem. Chem. Phys., Vol: 15, No: 24 , published: 28 June 2013
Size-dependent Auger spectra and two-hole Coulomb interaction of small supported Cu-clusters
S. Peters, S. Peredkov, M. Neeb, W. Eberhardt,  M. Al-Hada
Phys. Chem. Chem. Phys., Vol: 15, No: 24 , published: 28 June 2013
Photoelectron spectroscopy of aromatic compound clusters of the B12 all-boron benzene: B12Au and B12(BO)
Hui Bai, Hua-Jin Zhai, Si-Dian Li, Lai-Sheng Wang
Phys. Chem. Chem. Phys., Vol: 15, No: 24 , published: 28 June 2013
Tip enhanced Raman spectroscopy (TERS) as a probe for the buckling distortion in silicene
Deepthi Jose, A. Nijamudheen and Ayan Datta
Phys. Chem. Chem. Phys., Vol: 15, No: 22 , published: 14 June 2013
The electronic structure of pyracene: a spectroscopic and computational study
Johannes Auerswald, Bernd Engels, Ingo Fischer, Thiemo Gerbich, Jörg Herterich, Anke Krueger, Melanie Lang, Hans-Christian Schmitt, Christof Schon, Christof Walter
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
Density functional theoretical investigation on structure, optical response and hydrogen adsorption properties of B9/metal–B9 clusters
Swastika Banerjee, Ganga Periyasamy, Swapan K. Pati
Phys. Chem. Chem. Phys., Vol: 15, No: 21 , published: 07 June 2013
First principles calculations of the structure and V L-edge X-ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin–orbit coupled configuration interaction approaches
Dimitrios Maganas, Michael Roemelt, Michael Hävecker, Annette Trunschke, Axel Knop-Gericke, Robert Schlögl, Frank Neese
Phys. Chem. Chem. Phys., Vol: 15, No: 19 , published: 21 May 2013
Impact of short and long-range effects on the magnetic interactions in neutral organic radical-based materials
Alex Domingo, Martin Vérot, Fernando Mota, Coen de Graaf, Juan J. Novoa, Vincent Robert
Phys. Chem. Chem. Phys., Vol: 15, No: 18 , published: 14 May 2013
Similarities and Differences in the Optical Response of Perylene-Based Hetero-Bichromophores and Their Monomeric Units
Ulrike Selig, Patrick Nuernberger, Volker Dehm, Volker Settels, Marcel Gsänger, Bernd Engels, Frank Würthner, Tobias Brixner
ChemPhysChem., Vol: 14, No: 7 , published: 10 May 2013
Mn@Si14+: a singlet fullerene-like endohedrally doped silicon cluster
Vu Thi Ngan, Kristine Pierloot, Minh Tho Nguyen
Phys. Chem. Chem. Phys., Vol: 15, No: 15 , published: 21 April 2013
Energies and Spin States of FeS0/−, FeS20/−, Fe2S20/−, Fe3S40/−, and Fe4S40/− Clusters
Yan-Ni Li, Shengguang Wang, Tao Wang, Rui Gao,  Chun-Yu Geng, Yong-Wang Li,  Jianguo Wang, Haijun Jiao
ChemPhysChem., Vol: 14, No: 6 , published: 15 April 2013
Theoretical Investigation of the Coupling between Hydrogen-Atom Transfer and Stacking Interaction in Adenine–Thymine Dimers
Giovanni Villani
ChemPhysChem., Vol: 14, No: 6 , published: 15 April 2013
Bare Clusters Derived from Protein Templates: Au25+, Au38+ and Au102+
Ananya Baksi, Thalappil Pradeep, Bokwon Yoon, Constantine Yannouleas,  Uzi Landman
ChemPhysChem., Vol: 14, No: 6 , published: 15 April 2013
Structures and ionization energies of small lithium doped germanium clusters
Jorg De Haeck, Truong Ba Tai, Soumen Bhattacharyya, Hai Thuy Le, Ewald Janssens, Minh Tho Nguyen,  Peter Lievens
Phys. Chem. Chem. Phys., Vol: 15, No: 14 , published: 14 April 2013
Structural and energetic factors controlling the enantioselectivity of dinucleotide formation under prebiotic conditions
Judit E. Šponer, Arnošt Mládek, Jiří Šponer
Phys. Chem. Chem. Phys., Vol: 15, No: 17 , published: 07 April 2013
Structure and Stability of (NG)nCN3Be3+ Clusters and Comparison with (NG)BeY0/+
Sudip Pan, Said Jalife, R. Mahesh Kumar, Venkatesan Subramanian, Gabriel Merino, Pratim K. Chattaraj
ChemPhysChem., Vol: 14, No: 11 , published: 05 April 2013
The Intermolecular S[BOND]H⋅⋅⋅Y (Y=S,O) Hydrogen Bond in the H2S Dimer and the H2S–MeOH Complex
Aditi Bhattacherjee, Yoshiyuki Matsuda, Asuka Fujii, Sanjay Wategaonkar
ChemPhysChem., Vol: 14, No: 5 , published: 02 April 2013
The Occurrence of π Molecular Orbitals in Planar Boron Clusters
Yuto Nakagami, Nobu-Yuki Suzuki, Rika Sekine, Taisuke Matsuura, Jun-ichi Aihara
Bull. Chem. Soc. Jpn., Vol: 85, No: 4 , published: 01 April 2013
Microsolvation of the 4-Aminobenzonitrile Cation (ABN+) in a Nonpolar Solvent: IR Spectra of ABN+[BOND]Ln (L=Ar and N2, n≤4)
Matthias Schmies, Alexander Patzer, Sarah Kruppe, Mitsuhiko Miyazaki, Shun-ichi Ishiuchi, Masaaki Fujii, Otto Dopfer
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
IR Spectroscopy of the 4-Aminobenzonitrile–Ar Cluster in the S0, S1 Neutral and D0 Cationic States
Takashi Nakamura, Mitsuhiko Miyazaki, Shun-ichi Ishiuchi, Martin Weiler, Matthias Schmies, Otto Dopfer,  Masaaki Fujii
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
Helium Nanodroplet Isolation Spectroscopy and ab Initio Calculations of HO3[BOND](O2)n Clusters
Tao Liang, Paul L. Raston, Gary E. Douberly
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
Influence of Group 10 Metals on the Growth and Subsequent Coulomb Explosion of Small Silicon Clusters under Strong Light Pulses
Matt W. Ross, A. W. Castleman Jr.
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
Interactions of Aromatic Radicals with Water
Rachel Crespo-Otero, Kenny Bravo-Rodriguez, Saonli Roy, Tobias Benighaus, Walter Thiel, Wolfram Sander, Elsa Sánchez-García
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
Revealing the Subtle Interplay of Thermal and Quantum Fluctuation Effects on Contact Ion Pairing in Microsolvated HCl
Łukasz Walewski, Harald Forbert, Dominik Marx
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
Towards a Spectroscopic and Theoretical Identification of the Isolated Building Blocks of the Benzene–Acetylene Cocrystal
Markus Böning, Benjamin Stuhlmann, Gernot Engler, Matthias Busker, Thomas Häber, Adem Tekin, Georg Jansen, Karl Kleinermanns
ChemPhysChem., Vol: 14, No: 4 , published: 18 March 2013
The solvent effect on the luminescence of silver nanoclusters
Yang Li, Xumei Wang, Shuping Xu, Weiqing Xu
Phys. Chem. Chem. Phys., Vol: 15, No: 8 , published: 28 February 2013
Infrared spectrum of the disilane cation (Si2H6+) from Ar-tagging spectroscopy
Marco Savoca, Martin Andreas Robert George, Judith Langer, Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 15, No: 8 , published: 28 February 2013
van der Waals coefficients for systems with ultracold polar alkali-metal molecules
P. S. Żuchowski, M. Kosicki, M. Kodrycka, and P. Soldán
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 87, No: 2 , published: 19 February 2013
Tin clusters formed by fundamental units: a potential way to assemble tin nanowires
Haisheng Li, Weiguang Chen, Fei Wang, Q. Sun, Z. X. Guo, Y. Jia
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
Water clusters to nanodrops: a tight-binding density functional study
Pere Miró, Christopher J. Cramer
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
Chirality recognition of the protonated serine dimer and octamer by infrared multiphoton dissociation spectroscopy
Fumie X. Sunahori, Guochun Yang, Elena N. Kitova, John S. Klassen, Yunjie Xu
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
Towards an understanding of the vibrational spectrum of the neutral Au7 cluster
Luis A. Mancera, David M. Benoit
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
Association mechanisms of unsaturated C2 hydrocarbons with their cations: acetylene and ethylene
Partha P. Bera, Martin Head-Gordon, Timothy J. Lee
Phys. Chem. Chem. Phys., Vol: 15, No: 6 , published: 14 February 2013
Structure analysis of substrate catalyst complexes in mixtures with ultrafast two-dimensional infrared spectroscopy
Andreas T. Messmer, Katharina M. Lippert, Peter R. Schreiner, Jens Bredenbeck
Phys. Chem. Chem. Phys., Vol: 15, No: 5 , published: 07 February 2013
The structural and bonding evolution in cysteine–gold cluster complexes
Yaxue Zhao, Feng Zhou, Huchen Zhou, Haibin Su
Phys. Chem. Chem. Phys., Vol: 15, No: 5 , published: 07 February 2013
The Boron Conundrum: Which Principles Underlie the Formation of Large Hollow Boron Cages?
Jules Tshishimbi Muya, Erwin Lijnen, Minh Tho Nguyen, Arnout Ceulemans
ChemPhysChem., Vol: 14, No: 2 , published: 04 February 2013
Образование «трехмостикового» кобальт-медного коммо-кластера со связью (В—Н)3...Сu в реакции [Cs][commo-3,3´-Co(1,2-C2B9H11)2] с соединениями меди(I) и меди(II)
Е. В. Балагурова, И. В. Писарева, И. А. Годовиков, А. Ф. Смольяков, Ф. М. Долгушин, И. Т. Чижевский
Изв. РАН. Сер. хим., Vol: 2013, No: 2 , published: 01 February 2013
Visualization of clusters in polymer electrolyte membranes by electron microscopy
Sergey Yakovlev, Kenneth H. Downing
Phys. Chem. Chem. Phys., Vol: 15, No: 4 , published: 28 January 2013
Computational 17O-NMR spectroscopy of organic acids and peracids: comparison of solvation models
Alberto Baggioli, Orlando Crescenzi, Martin J. Field, Franca Castiglione, Guido Raos
Phys. Chem. Chem. Phys., Vol: 15, No: 4 , published: 28 January 2013
Sodium-doping as a reference to study the influence of intracluster chemistry on the fragmentation of weakly-bound clusters upon vacuum ultraviolet photoionization
Jessica H. Litman, Bruce L. Yoder, Bernhard Schläppi, Ruth Signorell
Phys. Chem. Chem. Phys., Vol: 15, No: 3 , published: 21 January 2013
On heterogeneity in fluorescent few-atom silver nanoclusters
Isabel Díez, Robin H. A. Ras, Mykola I. Kanyuk, Alexander P. Demchenko
Phys. Chem. Chem. Phys., Vol: 15, No: 3 , published: 21 January 2013
Trimetallic deltahedral Zintl ions [Sn9−mnGemBin](4−n)− for n = 1–4 and m = 0–(9 − n): a theoretical survey with prediction and rationalization of the possible structures
Alvaro Muñoz-Castro, Slavi C. Sevov
Phys. Chem. Chem. Phys., Vol: 15, No: 3 , published: 21 January 2013
Formation of water polyhedrons in propofol–water clusters
Iker León, Emilio J. Cocinero, Anouk M. Rijs, Judith Millán, Eduardo Alonso, Alberto Lesarri, José A. Fernández
Phys. Chem. Chem. Phys., Vol: 15, No: 2 , published: 14 January 2013
Multidimensional OH local mode calculations for OH(H2O)3—Importance of intermode anharmonicity
Masato Morita, Kaito Takahashi
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
Nitrogen dioxide at the air–water interface: trapping, absorption, and solvation in the bulk and at the surface
Garold Murdachaew, Mychel E. Varner, Leon F. Phillips, Barbara J. Finlayson-Pitts, R. Benny Gerber
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
Hybrid density functional–molecular mechanics calculations for core-electron binding energies of glycine in water solution
Johannes Niskanen, N. Arul Murugan, Zilvinas Rinkevicius, Olav Vahtras, Cui Li, Susanna Monti, Vincenzo Carravetta, Hans Ågren
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
Modulation of excimer formation of 9-(dicyano-vinyl)julolidine by the macrocyclic hosts
Krishna Gavvala, Wilbee D. Sasikala, Abhigyan Sengupta, Siddhi A. Dalvi, Arnab Mukherjee, Partha Hazra
Phys. Chem. Chem. Phys., Vol: 15, No: 1 , published: 07 January 2013
Cationic Complexes of Hydrogen with Helium
Peter Bartl, Christian Leidlmair, Stephan Denifl, Paul Scheier, Olof Echt
ChemPhysChem., Vol: 14, No: 1 , published: 01 January 2013
Parallel Interactions at Large Horizontal Displacement in Pyridine–Pyridine and Benzene–Pyridine Dimers
Dragan B. Ninković, Jelena M. Andrić, Snežana D. Zarić
ChemPhysChem., Vol: 14, No: 1 , published: 01 January 2013
van der Waals interaction as a summable asymptotic series
John P. Perdew, Adrienn Ruzsinszky, Jianwei Sun, Stephen Glindmeyer, and Gabor I. Csonka
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 6 , published: 26 December 2012
Theoretical study of the Si5−n(BH)n2− and Na(Si5−n(BH)n) (n = 0–5) systems
Edison Osorio, Alina P. Sergeeva, Juan Carlos Santos, William Tiznado
Phys. Chem. Chem. Phys., Vol: 14, No: 47 , published: 21 December 2012
A new ab initio potential energy surface for the collisional excitation of O2 by H2
Yulia Kalugina, Otoniel Denis Alpizar, Thierry Stoecklin, François Lique
Phys. Chem. Chem. Phys., Vol: 14, No: 47 , published: 21 December 2012
Evolution of the structural and electronic properties of beryllium-doped aluminum clusters: comparison with neutral and cationic aluminum clusters
Wei-Ming Sun, Ying Li, Di Wu, Zhi-Ru Li
Phys. Chem. Chem. Phys., Vol: 14, No: 47 , published: 21 December 2012
Nature of the attractive interaction between proton acceptors and organic ring systems
Emmanuel Arras, Ari Paavo Seitsonen, Florian Klappenberger, Johannes V. Barth
Phys. Chem. Chem. Phys., Vol: 14, No: 46 , published: 14 December 2012
Examination of the hydrogen-bonding networks in small water clusters (n = 2–5, 13, 17) using absolutely localized molecular orbital energy decomposition analysis
Erika A. Cobar, Paul R. Horn, Robert G. Bergman, Martin Head-Gordon
Phys. Chem. Chem. Phys., Vol: 14, No: 44 , published: 28 November 2012
CBe5E (E = Al, Ga, In, Tl): planar pentacoordinate carbon in heptaatomic clusters
Abril C. Castro, Gerardo Martínez-Guajardo, Thomas Johnson, Jesus M. Ugalde, Yan-bo Wu, José M. Mercero, Thomas Heine, Kelling J. Donald, Gabriel Merino
Phys. Chem. Chem. Phys., Vol: 14, No: 43 , published: 21 November 2012
Evidence of Photoinduced Charge Separation in the Metal–Organic Framework MIL-125(Ti)-NH2
Maykel de Miguel, Mrs. Florence Ragon, Thomas Devic, Christian Serre, Patricia Horcajada, Hermenegildo García
ChemPhysChem., Vol: 13, No: 16 , published: 12 November 2012
Optoelectronic properties of (ZnO)60 isomers
Claudia Caddeo, Giuliano Malloci, Filippo De Angelis, Luciano Colombo, Alessandro Mattoni
Phys. Chem. Chem. Phys., Vol: 14, No: 41 , published: 07 November 2012
Влияние противоионов на гипервалентные взаимодействия в предреакционных комплексах SN2-реакций бисфеноидных соединений элементов второго и третьего периодов
И. В. Гетманский, Р. М. Миняев, В. И. Минкин
Изв. РАН. Сер. хим., Vol: 2012, No: 11 , published: 01 November 2012
Geometrical requirements for transition-metal-centered aromatic boron wheels: the case of VB10
Wei-Li Li, Constantin Romanescu, Zachary A. Piazza, Lai-Sheng Wang
Phys. Chem. Chem. Phys., Vol: 14, No: 39 , published: 21 October 2012
The dynamics and spectroscopic fingerprint of hydroxyl radical generation through water dimer ionization: ab initio molecular dynamic simulation study
Ming-Kang Tsai, Jer-Lai Kuo, Jian-Ming Lu
Phys. Chem. Chem. Phys., Vol: 14, No: 38 , published: 14 October 2012
Tetrathiafulvalene-Fused Porphyrins via Quinoxaline Linkers: Symmetric and Asymmetric Donor–Acceptor Systems
Hongpeng Jia, Belinda Schmid, Shi-Xia Liu, Michael Jaggi, Philippe Monbaron, Sheshanath V. Bhosale , Shadi Rivadehi, Steven J. Langford, Lionel Sanguinet, Eric Levillain, Mohamed E. El-Khouly, Ysushi Morita, Shunichi Fukuzumi, Silvio Decurtins
ChemPhysChem., Vol: 13, No: 14 , published: 08 October 2012
Microsolvated transition state models for improved insight into chemical properties and reaction mechanisms
Raghavan B. Sunoj, Megha Anand
Phys. Chem. Chem. Phys., Vol: 14, No: 37 , published: 05 October 2012
Contribution of the π electron to the N–HO[double bond, length as m-dash]C hydrogen bond: IR spectroscopic studies of the jet-cooled pyrrole–acetone binary clusters
Yoshiteru Matsumoto, Jun-ichi Iwamoto, Kenji Honma
Phys. Chem. Chem. Phys., Vol: 14, No: 37 , published: 05 October 2012
Electronic excitations of C60 aggregates
A. L. Montero-Alejo, E. Menéndez-Proupin, M. E. Fuentes, A. Delgado, F.-P. Montforts, L. A. Montero-Cabrera, J. M. García de la Vega
Phys. Chem. Chem. Phys., Vol: 14, No: 37 , published: 05 October 2012
Внутрикластерные реакции, индуцированные в кластерах (CF3 I)n фемтосекундным УФ-излучением
Апатин В.М., Компанец В.О., Лохман В.Н., Огурок В.Н., Пойдашев Д.Г., Рябов Е.А., Чекалин С.В.
Ж. эксперим. и теор. физ., Vol: 142, No: 4 , published: 01 October 2012
Квантово-химическое исследование изомеризации бутана на кластерах хлоридов алюминия и кобальта. Смешанные комплексы
М. И. Шилина, И. П. Глориозов, Г. М. Жидомиров
Изв. РАН. Сер. хим., Vol: 2012, No: 10 , published: 01 October 2012
Multi-electron dissociative ionization of clusters under picosecond and femtosecond laser irradiation: the case of alkyl-halide clusters
Gabriel Karras,  Constantine Kosmidis
Phys. Chem. Chem. Phys., Vol: 14, No: 35 , published: 21 September 2012
Spatial separation of state- and size-selected neutral clusters
Sebastian Trippel, Yuan-Pin Chang, Stephan Stern, Terry Mullins, Lotte Holmegaard, and Jochen Küpper
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 3 , published: 10 September 2012
Explosion, ion acceleration, and molecular fragmentation of methane clusters in the pulsed beam of a free-electron laser
B. Iwan, J. Andreasson, M. Bergh, S. Schorb, H. Thomas, D. Rupp, T. Gorkhover, M. Adolph, T. Möller, C. Bostedt, J. Hajdu, and N. Tîmneanu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 86, No: 3 , published: 04 September 2012
Assessment of density functional approximations for the hemibonded structure of the water dimer radical cation
Piin-Ruey Pan, You-Sheng Lin, Ming-Kang Tsai, Jer-Lai Kuo, Jeng-Da Chai
Phys. Chem. Chem. Phys., Vol: 14, No: 30 , published: 14 August 2012
Bonds or not bonds? Pancake bonding in 1,2,3,5-dithiadiazolyl and 1,2,3,5-diselenadiazolyl radical dimers and their derivatives
Habtamu Z. Beneberu, Yong-Hui Tian, Miklos Kertesz
Phys. Chem. Chem. Phys., Vol: 14, No: 30 , published: 14 August 2012
Single molecule studies of calix[4]arene-linked perylene bisimide dimers: relationship between blinking, lifetime and/or spectral fluctuations
Abey Issac, Richard Hildner, Dominique Ernst, Catharina Hippius, Frank Würthner, Jürgen Köhler
Phys. Chem. Chem. Phys., Vol: 14, No: 30 , published: 14 August 2012
The hydrogen trapping potential of some Li-doped star-like clusters and super-alkali systems
Sudip Pan, Gabriel Merino, Pratim K. Chattaraj
Phys. Chem. Chem. Phys., Vol: 14, No: 29 , published: 07 August 2012
Electronic shell structure in Ga12 icosahedra and the relation to the bulk forms of gallium
D. Schebarchov and N. Gaston
Phys. Chem. Chem. Phys., Vol: 14, No: 28 , published: 28 July 2012
Limitations of high-intensity soft X-ray laser fields for the characterisation of water chemistry: Coulomb explosion of the octamer water cluster
Andrea Debnarova, Simone Techert and Stefan Schmatz
Phys. Chem. Chem. Phys., Vol: 14, No: 27 , published: 21 July 2012
Structure and reactivity of small particles: from clusters to aerosols
Vlasta Bonačić-Koutecký and Thorsten M. Bernhardt
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Gas phase metal cluster model systems for heterogeneous catalysis
Sandra M. Lang and Thorsten M. Bernhardt
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Structure characterization of metal oxide clusters by vibrational spectroscopy: possibilities and prospects
Knut R. Asmis
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Silver cluster–biomolecule hybrids: from basics towards sensors
Vlasta Bonačić-Koutecký, Alexander Kulesza, Lars Gell, Roland Mitrić, Rodolphe Antoine, Franck Bertorelle, Ramzi Hamouda, Driss Rayane, Michel Broyer, Thibault Tabarin and Philippe Dugourd
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Theoretical study of structural and optical properties of noble metal cluster–dipeptide hybrids at defect centers of MgO
Alexander Kulesza, Roland Mitrić and Vlasta Bonačić-Koutecký
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Photoelectron spectroscopy of silicon doped gold and silver cluster anions
Kiran Majer and Bernd v. Issendorff
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Structural variability in transition metal oxide clusters: gas phase vibrational spectroscopy of V3O6–8+
Knut R. Asmis, Torsten Wende, Mathias Brümmer, Oliver Gause, Gabriele Santambrogio, E. Cristina Stanca-Kaposta, Jens Döbler, Andrzej Niedziela and Joachim Sauer
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Gas-to-solid shift of C 1s-excited benzene
R. Flesch, E. Serdaroglu, F. Blobner, P. Feulner, X. O. Brykalova, A. A. Pavlychev, N. Kosugi and E. Rühl
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Anion photoelectron spectroscopy of germanium and tin clusters containing a transition- or lanthanide-metal atom; MGen (n = 8–20) and MSnn (n = 15–17) (M = Sc–V, Y–Nb, and Lu–Ta)
Junko Atobe, Kiichirou Koyasu, Shunsuke Furuse and Atsushi Nakajima
Phys. Chem. Chem. Phys., Vol: 14, No: 26 , published: 14 July 2012
Hydrogen bond dynamics in the excited states: Photodissociation of phenol in clusters
Viktoriya Poterya, Lukáš Šištík, Petr Slavíček and Michal Fárník
Phys. Chem. Chem. Phys., Vol: 14, No: 25 , published: 07 July 2012
Infrared spectra of ethylene clusters: (C2D4)2 and (C2D4)3
M. Rezaei, K. H. Michaelian, A. R. W. McKellar and N. Moazzen-Ahmadi
Phys. Chem. Chem. Phys., Vol: 14, No: 23 , published: 21 June 2012
On the Electrochemistry and Spectroelectrochemistry of Small Model Star-Shaped Compounds: 1,3,5-Triaryl-1-Methoxybenzenes and 2,4,6-Triaryl-1,3,5-Trimethoxybenzenes
Peter Rapta , Vladimír Lukeš ,  Krzysztof R. Idzik ,  Rainer Beckert, Lothar Dunsch
ChemPhysChem., Vol: 13, No: 9 , published: 18 June 2012
An ATR-FTIR Study on the Effect of Molecular Structural Variations on the CO2 Absorption Characteristics of Heterocyclic Amines, Part II
Kelly Robinson , Adam McCluskey, Moetaz I. Attalla
ChemPhysChem., Vol: 13, No: 9 , published: 18 June 2012
Electronic charging of non-metallic clusters: size-selected MoxSy clusters supported on an ultrathin alumina film on NiAl(110)
Jing Zhou, Jia Zhou, Nicholas Camillone and Michael G. White
Phys. Chem. Chem. Phys., Vol: 14, No: 22 , published: 14 June 2012
IR and IR + UV spectroscopy of isolated [Al–AcPheOMe]n+ cluster cations (n = 1, 3)
P. M. Bialach, T. C. Martin and M. Gerhards
Phys. Chem. Chem. Phys., Vol: 14, No: 22 , published: 14 June 2012
Electrostatically embedded many-body method for dipole moments, partial atomic charges, and charge transfer
Hannah R. Leverentz, Katie A. Maerzke, Samuel J. Keasler, J. Ilja Siepmann and Donald G. Truhlar
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Rapid computation of intermolecular interactions in molecular and ionic clusters: self-consistent polarization plus symmetry-adapted perturbation theory
John M. Herbert, Leif D. Jacobson, Ka Un Lao and Mary A. Rohrdanz
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Structures, energetics and vibrational spectra of CO2 clusters through molecular tailoring and cluster building algorithm
Sachin D. Yeole, Nityananda Sahu and Shridhar R. Gadre
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
The fragment molecular orbital and systematic molecular fragmentation methods applied to water clusters
Spencer R. Pruitt, Matthew A. Addicoat, Michael A. Collins and Mark S. Gordon
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Energy analysis of weak electron-donor–acceptor complexes and water clusters with the perturbation theory based on the locally projected molecular orbitals: charge-transfer and dispersion terms
Suehiro Iwata
Phys. Chem. Chem. Phys., Vol: 14, No: 21 , published: 07 June 2012
Single-Crystal X-Ray Diffraction, Isolated-Molecule and Cluster Electronic Structure Calculations, and Scanning Electron Microscopy in an Organic solid: Models for Intramolecular Motion in 4,4′-Dimethoxybiphenyl
Xianlong Wang,  Lolita Rotkina,  Hong Su, Peter A. Beckmann
ChemPhysChem., Vol: 13, No: 8 , published: 04 June 2012
Magic Pairs and Structural Transitions in Binary Metallic Clusters
Liviu-Cristian Cune
ChemPhysChem., Vol: 13, No: 8 , published: 04 June 2012
Structural, electronic, optical, and chiroptical properties of small thiolated gold clusters: the case of Au6 and Au8 cores protected with dimer [Au2(SR)3] and trimer [Au3(SR)4)] motifs
Alfredo Tlahuice and Ignacio L. Garzón
Phys. Chem. Chem. Phys., Vol: 14, No: 20 , published: 28 May 2012
Vibrational spectroscopy and molecular dynamics of water monomers and dimers adsorbed on polycyclic aromatic hydrocarbons
Aude Simon, Mathias Rapacioli, Joëlle Mascetti and Fernand Spiegelman
Phys. Chem. Chem. Phys., Vol: 14, No: 19 , published: 21 May 2012
Glycine in 1-Butyl-3-Methylimidazolium Acetate and Trifluoroacetate Ionic Liquids: Effect of Fluorination and Hydrogen Bonding
Ajda Podgoršek, Marina Macchiagodena, Fabio Ramondo,  Margarida F. Costa Gomes, Agílio A. H. Pádua
ChemPhysChem., Vol: 13, No: 7 , published: 14 May 2012
FTIR spectroscopic and quantum chemical studies on hydantoin
Gulce Ogruc Ildiz, Ismail Boz, Ozan Unsalan
Оптика и спектроскопия, Vol: 112, No: 5 , published: 01 May 2012
Halogen as halogen-bonding donor and hydrogen-bonding acceptor simultaneously in ring-shaped H3N•X(Y)•HF (X = Cl, Br and Y = F, Cl, Br) Complexes
Pan-Pan Zhou, Wen-Yuan Qiu, Shubin Liu and Neng-Zhi Jin
Phys. Chem. Chem. Phys., Vol: 13, No: 16 , published: 29 April 2012
Vicinage effect for hydrogen clusters in Si3N4 and SiO2
A. L'Hoir, C. Cohen, J. J. Ganem, I. Trimaille, I. C. Vickridge, and S. M. Shubeita
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 27 April 2012
Interatomic Coulombic decay of fixed-in-space neon dimers
S. K. Semenov, K. Kreidi, T. Jahnke, Th. Weber, T. Havermeier, R. E. Grisenti, X. Liu, Y. Morisita, L. Ph. H. Schmidt, M. S. Schöffler, M. Odenweller, N. Neumann, L. Foucar, J. Titze, B. Ulrich, F. Sturm, H. K. Kim, K. Ueda, A. Czasch, O. Jagutzki, N. A. Cherepkov, and R. Dörner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 85, No: 4 , published: 24 April 2012
Theoretical Investigation on SERS of Pyridine Adsorbed on Cn Clusters Induced by Charge Transfer: A Hint that SERS Could be Applied on Many Materials
Xiangkai Kong,  Qianwang Chen,  Ran Li,  Kai Cheng,  Nan Yan,  Jian Chen, Yumei Zhou
ChemPhysChem., Vol: 13, No: 6 , published: 23 April 2012
Размер гетерогенных кластеров при конденсации смесей Ar-Kr в сверхзвуковой струе
Данильченко А.Г., Коваленко С.И., Конотоп А.П., Самоваров В.Н.
Письма в ЖТФ, Vol: 38, No: 7 , published: 12 April 2012
Azafullerene C59N–Phthalocyanine Dyad: Synthesis, Characterisation and Photoinduced Electron Transfer
Georgios Rotas, Jenni Ranta, Alexander Efimov, Marja Niemi, Helge Lemmetyinen, Nikolai Tkachenko, Nikos Tagmatarchis
ChemPhysChem., Vol: 13, No: 5 , published: 10 April 2012
A DFT Study of the Structures of Aux Clusters on a CeO2(111) Surface
Bo-Tao Teng, Feng-Min Wu,  Wei-Xin Huang,  Xiao-Dong Wen,  Lei-Hong Zhao, Meng-Fei Luo
ChemPhysChem., Vol: 13, No: 5 , published: 10 April 2012
Structures and Reactivity of Oxygen-Rich Scandium Cluster Anions ScO3–5
Li-Hua Tian, Yan-Xia Zhao, Xiao-Nan Wu, Xun-Lei Ding,  Sheng-Gui He, Tong-Mei Ma
ChemPhysChem., Vol: 13, No: 5 , published: 10 April 2012
Li2 Trapped inside Tubiform [n] Boron Nitride Clusters (n=4–8): Structures and First Hyperpolarizability
Fang Ma, Zhong-Jun Zhou, Ying-Tao Liu
ChemPhysChem., Vol: 13, No: 5 , published: 10 April 2012
A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures
Tim S. Totton, Alston J. Misquitta and Markus Kraft
Phys. Chem. Chem. Phys., Vol: 14, No: 12 , published: 28 March 2012
Catalytic reactions on neutral Rh oxide clusters more efficient than on neutral Rh clusters
Akira Yamada, Ken Miyajima and Fumitaka Mafuné
Phys. Chem. Chem. Phys., Vol: 14, No: 12 , published: 28 March 2012
Photoionization and ab initio study of Ba(H2O)n (n = 1–4) clusters
Iván Cabanillas-Vidosa, Maximiliano Rossa, Gustavo A. Pino, Juan C. Ferrero and Carlos J. Cobos
Phys. Chem. Chem. Phys., Vol: 14, No: 12 , published: 28 March 2012
Cooperative effects to enhance two-photon absorption efficiency: intra- versus inter-molecular approach
E. Collini
Phys. Chem. Chem. Phys., Vol: 14, No: 11 , published: 21 March 2012
On the structure of the Au18(SR)14cluster
Alfredo Tlahuice and Ignacio L. Garzón
Phys. Chem. Chem. Phys., Vol: 14, No: 11 , published: 21 March 2012
Structures and energetics of electrosprayed uracilnCa2+ clusters (n = 14–4) in the gas phase
Elizabeth A. L. Gillis, Maria Demireva, Kaushik Nanda, Gregory Beran, Evan R. Williams,  Travis D. Fridgen
Phys. Chem. Chem. Phys., Vol: 14, No: 10 , published: 14 March 2012
Size resolved infrared spectroscopy of Na(CH3OH)n (n = 4–7) clusters in the OH stretching region: unravelling the interaction of methanol clusters with a sodium atom and the emergence of the solvated electron
Richard M. Forck, Christoph C. Pradzynski, Sabine Wolff, Milan Ončák, Petr Slavíček and Thomas Zeuch
Phys. Chem. Chem. Phys., Vol: 14, No: 9 , published: 07 March 2012
Photochemistry of (CH3SCH3) n and (CH3SSCH3) n clusters at 355 and 532 nm using time-of-flight mass spectrometer
P. Sharma, S. Das, P. M. Badani, R. K. Vatsa
Indian J. Phys., Vol: 86, No: 3 , published: 01 March 2012
Theoretical study on the difference of OH vibrational spectra between OH(H2O)3 and OH(H2O)4
Masato Morita and Kaito Takahashi
Phys. Chem. Chem. Phys., Vol: 14, No: 8 , published: 28 February 2012
Structure determination of neutral MgO clusters—hexagonal nanotubes and cages
Marko Haertelt, André Fielicke, Gerard Meijer, Karolina Kwapien, Marek Sierka and Joachim Sauer
Phys. Chem. Chem. Phys., Vol: 14, No: 8 , published: 28 February 2012
A study of the atmospherically important reactions of dimethylsulfide (DMS) with I2 and ICl using infrared matrix isolation spectroscopy and electronic structure calculations
Sonya Beccaceci, Nerina Armata, J. Steven Ogden, John M. Dyke, Lydia Rhyman,  Ponnadurai Ramasami
Phys. Chem. Chem. Phys., Vol: 14, No: 7 , published: 21 February 2012
Intermolecular Weak Interactions in HTeXH Dimers (X=O, S, Se, Te): Hydrogen Bonds, Chalcogen–Chalcogen Contacts and Chiral Discrimination
Dr. Goar Sánchez-Sanz, Dr. Cristina Trujillo, Prof. Ibon Alkorta and Prof. José Elguero
ChemPhysChem., Vol: 13, No: 2 , published: 19 February 2012
Gas-phase lanthanide chloride clusters: relationships among ESI abundances and DFT structures and energetics
Philip X. Rutkowski, Maria C. Michelini and John K. Gibson
Phys. Chem. Chem. Phys., Vol: 14, No: 6 , published: 14 February 2012
Aggregation of Benzene Molecules with Molecules of Methanol and Formic Acid
Tukhvatullin F.H., Jumabayev A., Tashkenbaev U.N., Hushvaktov H., Absanov A., Sharifov G.
Укр. фiз. ж., Vol: 57, No: 2 , published: 09 February 2012
Quantum-Chemical Simulation of the Cluster Structure of Liquid N-Heptanol
Golub P., Pogorelov V., Doroshenko I.
Укр. фiз. ж., Vol: 57, No: 2 , published: 09 February 2012
Toward an Atomic-Level Understanding of Size-Specific Properties of Protected and Stabilized Gold Clusters
Tatsuya Tsukuda
Bull. Chem. Soc. Jpn., Vol: 85, No: 2 , published: 01 February 2012
Dynamical Electron Mechanism of Double Proton Transfer in Formic Acid Dimer
Michihiro Okuyama, Kazuo Takatsuka
Bull. Chem. Soc. Jpn., Vol: 85, No: 2 , published: 01 February 2012
Experimental and theoretical investigations of isomerization reactions of ionized acetone and its dimer
Yoshiyuki Matsuda, Kunihito Hoki, Satoshi Maeda, Ken-ichi Hanaue, Keisuke Ohta, Keiji Morokuma, Naohiko Mikami and Asuka Fujii
Phys. Chem. Chem. Phys., Vol: 14, No: 2 , published: 26 January 2012
The magnetic coupling in manganese-based dinuclear superhalogens and their analogues. A theoretical characterization from a combined DFT and BS study
Bing Yin, Jianli Li, Hongcun Bai, Zhenyi Wen, Zhenyi Jiang and Yuanhe Huang
Phys. Chem. Chem. Phys., Vol: 14, No: 3 , published: 19 January 2012
Ab initio and empirical energy landscapes of (MgF2)n clusters (n = 3, 4)
S. Neelamraju, J. C. Schön, K. Doll and M. Jansen
Phys. Chem. Chem. Phys., Vol: 14, No: 3 , published: 19 January 2012
Amplification of Anharmonicities in Multiphoton Vibrational Action Spectra
F. Calvo, P. Parneix
ChemPhysChem., Vol: 13, No: 1 , published: 16 January 2012
Chemical Effects in SERS of Pyrazine Adsorbed on Au–Pd Bimetallic Nanoparticles: A Theoretical Investigation
Xiu-Feng Lang,  Peng-Gang Yin, Ting-Ting You, Lin Guo
ChemPhysChem., Vol: 13, No: 1 , published: 16 January 2012
A computational study of organic polyradicals stabilized by chromium atoms
Ka-Un Lao, Pei-Kang Tsou, Timm Lankau and Chin-Hui Yu
Phys. Chem. Chem. Phys., Vol: 14, No: 1 , published: 07 January 2012
On the role of thermal activation in selective photochemistry: mechanistic insight into the oxidation of propene on the V4O11 cluster
ёShaohui Li, Juri Demuth, Aldo Mirabal, Ludger Wöste and Torsten Siebert
Phys. Chem. Chem. Phys., Vol: 14, No: 1 , published: 07 January 2012
Structures of medium sized tin cluster anions
Anne Wiesel, Nedko Drebov, Thomas Rapps, Reinhart Ahlrichs, Ulrike Schwarz, Rebecca Kelting, Patrick Weis, Manfred M. Kappes and Detlef Schooss
Phys. Chem. Chem. Phys., Vol: 14, No: 1 , published: 07 January 2012
A survey of the potential energy surface for the (benzene)13 cluster
Dwaipayan Chakrabarti, Tim S. Totton, Markus Kraft and David J. Wales
Phys. Chem. Chem. Phys., Vol: 13, No: 48 , published: 26 December 2011
Structure, stability and spectral signatures of monoprotic carborane acid–water clusters (CBWn, where n = 1–6)
Muthuramalingam Prakash and Venkatesan Subramanian
Phys. Chem. Chem. Phys., Vol: 13, No: 48 , published: 26 December 2011
Perfectly planar concentric π-aromatic B18H3, B18H4, B18H5+, and B18H62+ with [10]annulene character
Qiang Chen, Hui Bai, Jin-Chang Guo, Chang-Qing Miao and Si-Dian Li
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
All-metal aromatic clusters M42 (M = B, Al, and Ga). Are π-electrons distortive or not?
Jordi Poater, Ferran Feixas, F. Matthias Bickelhaupt and Miquel Solà
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Ab initio theoretical calculations of the electronic excitation energies of small water clusters
Hiroto Tachikawa, Akihiro Yabushita and Masahiro Kawasaki
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
GGA versus van der Waals density functional results for mixed gold/mercury molecules and pure Au and Hg cluster properties
Eva M. Fernández and Luis C. Balbás
Phys. Chem. Chem. Phys., Vol: 13, No: 46 , published: 14 December 2011
Connecting theory with experiment to understand the initial nucleation steps of heteropolyoxometalate clusters
Laia Vilà-Nadal, Scott G. Mitchell, Antonio Rodríguez-Fortea, Haralampos N. Miras, Leroy Cronin and Josep M. Poblet
Phys. Chem. Chem. Phys., Vol: 13, No: 45 , published: 05 December 2011
Substituent effects in halogen bonding complexes between aromatic donors and acceptors: a comprehensive ab initio study
Antonio Bauzá, David Quiñonero, Antonio Frontera and Pere M. Deyà
Phys. Chem. Chem. Phys., Vol: 13, No: 45 , published: 05 December 2011
The ground-state potential energy function of a beryllium dimer determined using the single-reference coupled-cluster approach
Jacek Koput
Phys. Chem. Chem. Phys., Vol: 13, No: 45 , published: 05 December 2011
Structures and vibrational spectroscopy of partially reduced gas-phase cerium oxide clusters
Asbjörn M. Burow, Torsten Wende, Marek Sierka, Radosław Włodarczyk, Joachim Sauer, Pieterjan Claes, Ling Jiang, Gerard Meijer, Peter Lievens, Knut R. Asmis
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
Accounting for non-optimal interactions in molecular recognition: a study of ion–π complexes using a QM/MM model with a dipole-polarisable MM region
Qiantao Wang,  Richard A. Bryce
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
Investigation of the valence electronic states of Ti(IV) in Ti silicalite-1 coupling X-ray emission spectroscopy and density functional calculations
Erik Gallo, Carlo Lamberti and Pieter Glatzel
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
Stability of noble-gas hydrocarbons in an organic liquid-like environment: HXeCCH in acetylene
Ehud Tsivion,  R. Benny Gerber
Phys. Chem. Chem. Phys., Vol: 13, No: 43 , published: 21 November 2011
The nature of chemical bonding in nitramide
I. V. Ananyev, Yu. V. Nelyubina, A. A. Korlyukov, P. Yu. Barzilovich, M. Yu. Antipin, et al.
Изв. РАН. Сер. хим., Vol: 2011, No: 11 , published: 20 November 2011
Static and Dynamic Structures of Phenol/Ar Clusters Studied by Multiresonance Laser Spectroscopy
Shun-ichi Ishiuchi
Bull. Chem. Soc. Jpn., Vol: 84, No: 11 , published: 15 November 2011
μ-Oxo-Bridged Subphthalocyanine Dimers: Preparation and Characterization by X-ray Structure Analysis
Yasuhiro Yamasaki, Tomohiro Mori
Bull. Chem. Soc. Jpn., Vol: 84, No: 11 , published: 15 November 2011
Microsolvation of Co2+ and Ni2+ by acetonitrile and water: photodissociation dynamics of M2+(CH3CN)n(H2O)m
Manori Perera, Paul Ganssle and Ricardo B. Metz
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Cluster or periodic, static or dynamic—the challenge of calculating the g tensor of the solid-state glycine radical
Ewald Pauwels, James Asher, Martin Kaupp and Michel Waroquier
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Proton transfer and autoionization in HNO3·HCl·(H2O)n particles
F. Mine Balcı, Nevin Uras-Aytemiz, Pedro C. Gómez and Rafael Escribano
Phys. Chem. Chem. Phys., Vol: 13, No: 40 , published: 06 November 2011
Computational simulation of the molecular ordering of 3,6-bis(4-butylphenyl)[1,2,4,5]tetrazine at the phase transition temperatures
T. R. Prosochkina, R. G. Shestakova, E. A. Kantor, K. G. Kichatov
Ж. общ. химии, Vol: 81, No: 11 , published: 01 November 2011
Visible luminescence spectroscopy of free-base and zinc phthalocyanines isolated in cryogenic matrices
Ciaran Murray, Nadia Dozova, John G. McCaffrey, Niloufar Shafizadeh, Wuthurath Chin, Michel Broquier,  Claudine Crépin
Phys. Chem. Chem. Phys., Vol: 13, No: 39 , published: 21 October 2011
Electric field-controlled dissociation and association of porphyrin J-aggregates in aqueous solution
Kazuaki Nakata, Takayoshi Kobayashi,  Eiji Tokunaga
Phys. Chem. Chem. Phys., Vol: 13, No: 39 , published: 21 October 2011
FTIR study of ammonia formation via the successive hydrogenation of N atoms trapped in a solid N2 matrix at low temperatures
Hiroshi Hidaka, Motohiro Watanabe, Akira Kouchi and Naoki Watanabe
Phys. Chem. Chem. Phys., Vol: 13, No: 35 , published: 20 October 2011
Cross-section energy dependence of the [C6H6–M]+ adduct formation between benzene molecules and alkali ions (M = Li, Na, K)
E. López, J. M. Lucas, J. de Andrés, M. Albertí, J. M. Bofill, D. Bassi and A. Aguilar
Phys. Chem. Chem. Phys., Vol: 13, No: 35 , published: 20 October 2011
Side chain flexibility and protonation states of sulfur atom containing amino acids
Belén Hernández, Fernando Pflüger, Alain Adenier, Sergei G. Kruglik and Mahmoud Ghomi
Phys. Chem. Chem. Phys., Vol: 13, No: 38 , published: 14 October 2011
Reconsideration of the anomalous dielectric behavior of dimethyl sulfoxide in the pure liquid state
Toshiyuki Shikata and Natsuki Sugimoto
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
Natural abundance solid-state 67Zn NMR characterization of microporous zinc phosphites and zinc phosphates at ultrahigh magnetic field
Andre Sutrisno, Li Liu, Jun Xu and Yining Huang
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
A π-stacked phenylacetylene dimer
Surajit Maity, G. Naresh Patwari, Robert Sedlak and Pavel Hobza
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
Reliable structural, thermodynamic, and spectroscopic properties of organic molecules adsorbed on silicon surfaces from computational modeling: the case of glycine@Si(100)
Ivan Carnimeo, Malgorzata Biczysko, Julien Bloino and Vincenzo Barone
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
Remarkable nanoconfinement effects on chemical equilibrium manifested in nucleotide dimerization and H–D exchange reactions
Micha Polak and Leonid Rubinovich
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
Studies on the interaction of achiral cationic pseudoisocyanine with chiral metal complexes
Jian Wang, Lixi Zeng, Dongdong Ding, Xiangjun Li, Hui Zhang, Hong Zhao, Jun Fan, Weiguang Zhang and Yujian He
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
Theoretical study of the solvation of HgCl2, HgClOH, Hg(OH)2 and HgCl3: a density functional theory cluster approach
Ludovic Castro, Aurélien Dommergue, Alexandre Renard, Christophe Ferrari, Alejandro Ramirez-Solis and Laurent Maron
Phys. Chem. Chem. Phys., Vol: 13, No: 37 , published: 07 October 2011
Trends in structural, electronic and energetic properties of bimetallic vanadium–gold clusters AunV with n = 1–14
Pham Vu Nhat, Minh Tho Nguyen
Phys. Chem. Chem. Phys., Vol: 13, No: 36 , published: 28 September 2011
Shared solvation of sodium ions in alcohol–water solutions explains the non-ideality of free energy of solvation
Kathrin M. Lange, Ulf Bergmann, Kai F. Hodeck, René Könnecke, Ulrich Schade and Emad F. Aziz
Phys. Chem. Chem. Phys., Vol: 13, No: 34 , published: 14 September 2011
A theoretical study of pure and mixed caesium clusters and cluster ions, CslHmO0/+n, l ≤ 5: geometry, energetics and photofragmentation
Sebastian Krapf, Maria Schill, Sebastian Krötz and Thorsten Koslowski
Phys. Chem. Chem. Phys., Vol: 13, No: 33 , published: 14 September 2011
A theoretical study on structural, spectroscopic and energetic properties of acetamide clusters [CH3CONH2] (n = 1–15)
A. Subha Mahadevi, Y. Indra Neela and G. Narahari Sastry
Phys. Chem. Chem. Phys., Vol: 13, No: 33 , published: 14 September 2011
Structure and properties of the (HCl)2H2O cluster observed by chirped-pulse Fourier transform microwave spectroscopy
Zbigniew Kisiel, Alberto Lesarri, Justin L. Neill, Matt T. Muckle and Brooks H. Pate
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Structures and IR/UV spectra of neutral and ionic phenol–Arn cluster isomers (n ≤ 4): competition between hydrogen bonding and stacking
Matthias Schmies, Alexander Patzer, Masaaki Fujii and Otto Dopfer
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
From a localized H3O radical to a delocalized H3O+e solvent-separated pair by sequential hydration
Frank Uhlig, Ondrej Marsalek and Pavel Jungwirth
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
High resolution overtone spectroscopy of the acetylene van der Waals dimer, (12C2H2)2
K. Didriche, C. Lauzin, T. Földes, D. Golebiowski, M. Herman and C. Leforestier
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Observation of a double C–Hπ interaction in the CH2ClFHCCH weakly bound complex
Lena F. Elmuti, Rebecca A. Peebles, Sean A. Peebles, Amanda L. Steber, Justin L. Neill and Brooks H. Pate
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Nature and strength of C–HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes
Tejender S. Thakur, Michael T. Kirchner, Dieter Bläser, Roland Boese and Gautam R. Desiraju
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Experimental and theoretical determination of the accurate CH/π interaction energies in benzene–alkane clusters: correlation between interaction energy and polarizability
Asuka Fujii, Hiromasa Hayashi, Jae Woo Park, Takaki Kazama, Naohiko Mikami and Seiji Tsuzuki
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Dimers of cyclic carbonates: chirality recognition in battery solvents and energy storage
Franz Kollipost, Susanne Hesse, Juhyon J. Lee and Martin A. Suhm
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
Ab Initio Study of Mixed Clusters of Water and N,N'-dimethylethyleneurea
Bende A., Almásy L.
Укр. фiз. ж., Vol: 56, No: 8 , published: 18 August 2011
Propanol Clustering in Argon Matrix: 2D FTIR Correlation Spectroscopy
Balevicius V., Sablinskas V., Doroshenko I., Pogorelov V.
Укр. фiз. ж., Vol: 56, No: 8 , published: 18 August 2011
Диагностика ранней стадии нагрева кластеров фемтосекундным лазерным импульсом по спектрам полых ионов
Фаенов А.Я., Скобелев И.Ю., Пикуз Т.А., Фортов В.Е., Болдарев А.С., Гасилов В.А., Чен Л.-М., Джанг Л., Яан В.-Ч., Юан Д.-В., Мао Д.-Ю., Ванг Д.-Х., Колган Дж., Абдаллах Дж., мл.
Письма в ЖЭТФ, Vol: 94, No: 3 , published: 10 August 2011
Computing the 7Li NMR chemical shielding of hydrated Li+ using cluster calculations and time-averaged configurations from ab initio molecular dynamics simulations
Todd M. Alam, David Hart and Susan L. B. Rempe
Phys. Chem. Chem. Phys., Vol: 13, No: 30 , published: 29 July 2011
Strong halogen bonding of 1,2-diiodoperfluoroethane and 1,6-diiodoperfluorohexane with halide anions revealed by UV-Vis, FT-IR, NMR spectroscopes and crystallography
Qian Jin Shen and Wei Jun Jin
Phys. Chem. Chem. Phys., Vol: 13, No: 30 , published: 29 July 2011
Fluorescence correlation spectroscopy evidence for structural heterogeneity in ionic liquids
Jianchang Guo, Gary A. Baker, Patrick C. Hillesheim, Sheng Dai, Robert W. Shaw and Shannon M. Mahurin
Phys. Chem. Chem. Phys., Vol: 13, No: 27 , published: 21 July 2011
Thiazole orange (TO) as a light-switch probe: a combined quantum-mechanical and spectroscopic study
Alessandro Biancardi, Tarita Biver, Alberto Marini, Benedetta Mennucci and Fernando Secco
Phys. Chem. Chem. Phys., Vol: 13, No: 27 , published: 21 July 2011
Proton mobility and stability of water clusters containing the bisulfate anion, HSO4(H2O)n
Alexey S. Zatula, Patrik Urban Andersson, Mauritz Johan Ryding and Einar Uggerud
Phys. Chem. Chem. Phys., Vol: 13, No: 29 , published: 21 July 2011
Understanding hydration of Zn2+ in hydrothermal fluids with ab initio molecular dynamics
Xiandong Liu, Xiancai Lu, Rucheng Wang and Evert Jan Meijer
Phys. Chem. Chem. Phys., Vol: 13, No: 29 , published: 21 July 2011
Unexpected size distribution of Ba(H2O)n clusters: why is the intensity of the Ba(H2O)1 cluster anomalously low?
Iván Cabanillas–Vidosa, Maximiliano Rossa, Gustavo A. Pino and Juan C. Ferrero
Phys. Chem. Chem. Phys., Vol: 13, No: 29 , published: 21 July 2011
Photochemistry of hydrogen bonded heterocycles probed by photodissociation experiments and ab initio methods
Petr Slavíček, Michal Fárník
Phys. Chem. Chem. Phys., Vol: 13, No: 26 , published: 14 July 2011
Influence of clustering and molecular orbital shapes on the ionization enhancement in ammonia
Scott G. Sayres, Matt W. Ross and A. W. Castleman
Phys. Chem. Chem. Phys., Vol: 13, No: 26 , published: 14 July 2011
Nature of anion-templated π+–π+ interactions
Inacrist Geronimo, N. Jiten Singh and Kwang S. Kim
Phys. Chem. Chem. Phys., Vol: 13, No: 25 , published: 07 July 2011
A computational study on the structures of methylamine–carbon dioxide–water clusters: evidence for the barrier free formation of the methylcarbamic acid zwitterion (CH3NH2+COO) in interstellar water ices
Hakan Kayi, Ralf I. Kaiser and John D. Head
Phys. Chem. Chem. Phys., Vol: 13, No: 23 , published: 21 June 2011
Photochromic single-molecule magnets based on oxocarboxylate Mn12 clusters and mononitrosyl Ru complexes
L. A. Kushch, V. D. Sasnovskaya, E. B. Yagubskii, A. I. DmitrievR. B. Morgunov, et al.
Изв. РАН. Сер. хим., Vol: 2011, No: 6 , published: 14 June 2011
On the state of CH4 molecule in the octahedral void of C60 fullerite
Yu. M. Shul’ga, A. F. Shestakov, V. M. Martynenko, S. A. Baskakov, N. Yu. Trifonov, et al.
Изв. РАН. Сер. хим., Vol: 2011, No: 6 , published: 14 June 2011
Sizing the Ubbelohde effect: the rotational spectrum of a tert-butylalcohol dimer
Shouyuan Tang, Irena Majerz, Walther Caminati
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
Characterization of electronically excited states in anionic acetonitrile clusters
Julian Azar, Westin Kurlancheek, Martin Head-Gordon
Phys. Chem. Chem. Phys., Vol: 13, No: 20 , published: 27 May 2011
Molecular wheel to monocyclic ring transition in boron–carbon mixed clusters C2B6 and C3B5
Timur R. Galeev, Alexander S. Ivanov, Constantin Romanescu, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 19 , published: 20 May 2011
Charge controlled changes in the cluster and spin dynamics of Sc3N@C80(CF3)2: the flexible spin density distribution and its impact on ESR spectra
Alexey A. Popov and Lothar Dunsch
Phys. Chem. Chem. Phys., Vol: 13, No: 19 , published: 20 May 2011
Structures and electronic properties of silicene clusters: a promising material for FET and hydrogen storage
Deepthi Jose, Ayan Datta
Phys. Chem. Chem. Phys., Vol: 13, No: 16 , published: 29 April 2011
Halogen as halogen-bonding donor and hydrogen-bonding acceptor simultaneously in ring-shaped H3N·X(Y)·HF (X = Cl, Br and Y = F, Cl, Br) Complexes
Pan-Pan Zhou, Wen-Yuan Qiu, Shubin Liu, Neng-Zhi Jin
Phys. Chem. Chem. Phys., Vol: 13, No: 16 , published: 28 April 2011
Molybdenum Cluster Halide Compound Mo6Cl12(OH2)2 with Six-Handed Linkage Hydrogen Bonding
Kei Inumaru, Atsushi Anzai, Takashi Kikudome, Momoko Harada, Hiroyuki Sakai, Yusuke Ide, Tsuneji Sano and Shoji Yamanaka
Bull. Chem. Soc. Jpn., Vol: 84, No: 4 , published: 13 April 2011
Halogen bonded complexes between volatile anaesthetics (chloroform, halothane, enflurane, isoflurane) and formaldehyde: a theoretical study
Zierkiewicz Wiktor, Wieczorek Robert, Hobza Pavel, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 11 , published: 18 March 2011
Structural stability and electronic properties of Au5Hn (n=1–10) clusters
Xiang-jun Kuang, Xin-qiang Wang, Gao-bin Liu
Indian J. Phys., Vol: 85, No: 2 , published: 24 February 2011
Spectroscopic identification of carbon dioxide clusters: (CO2)6  to (CO2)13
J. Norooz Oliaee, M. Dehghany, N. Moazzen-Ahmadi et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 4 , published: 28 January 2011
Coherent excitation-energy transfer and quantum entanglement in a dimer
Jie-Qiao Liao (廖�桥), Jin-Feng Huang (黄金凤), Le-Man Kuang (匡�满), and C. P. Sun (孙昌璞)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 82, No: 5 , published: 10 November 2010
2,1,3-Benzothiadiazole Dimers: Preparation, Structure, and Transannular Electronic Interactions of syn- and anti-[2.2](4,7)Benzothiadiazolophanes
Motonori Watanabe, Kenta Goto, Mamoru Fujitsuka, et al.
Bull. Chem. Soc. Jpn., Vol: 83, No: 10 , published: 24 October 2010
A first principles study of fluorescence quenching in rhodamine B dimers: how can quenching occur in dimeric species?
Setiawan Dani/Kazaryan Andranik/Martoprawiro Muhamad Abdulkadir/Filatov Michael
Phys. Chem. Chem. Phys., Vol: 12, No: 37 , published: 01 October 2010
Structure and stability of aluminium doped lithium clusters (LinAl0/+, n=1_-8): a case of the phenomenological shell model
Tai Truong Ba/Nhat Pham Vu/Nguyen Minh Tho
Phys. Chem. Chem. Phys., Vol: 12, No: 37 , published: 01 October 2010
Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations
Zgarbova Marie, Otyepka Michal, Sponer Jiri
Phys. Chem. Chem. Phys., Vol: 12, No: 35 , published: 17 September 2010
The dynamical behavior of hydrated glutathione: a model for protein-water interactions
Pagnotta Sara Emanuela, Cerveny Silvina, Alegria Angel, Colmenero Juan
Phys. Chem. Chem. Phys., Vol: 12, No: 35 , published: 17 September 2010
Карбоксилатные кластеры с кубаноподобным остовом M[4]O[4]: пивалатный сокристаллизат с атомами Co{II} и Ni{II}
Фомина И.Г./Доброхотова Ж.В./Александров Г.Г./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 4 , published: 15 September 2010
Люминесцентные свойства мезопористого терефталата хрома(III) и соединений включения кластерных комплексов
Коваленко К.А./Дыбцев Д.Н./Лебедкин С.Ф./Федин В.П.
Изв. РАН. Сер. хим., Vol: 2010, No: 4 , published: 15 September 2010
Трибромгермильные монохелаты _- производные N,N-дизамещенных амидов 2-гидроксикарбоновых кислот
Шипов А.Г./Грюнер С.В./Корлюков А.А./и др.
Изв. РАН. Сер. хим., Vol: 2010, No: 4 , published: 15 September 2010
Спин-кроссовер в точно решаемой модели упругой цепочки обменных кластеров
Морозов В.А./Лукзен Н.Н./Овчаренко В.И.
Докл. РАН, Vol: 430, No: 5 , published: 14 September 2010
Экспериментальные методы определения температуры и теплоты плавления кластеров и наночастиц
Макаров Г.Н.
Успехи физ. наук, Vol: 180, No: 2 , published: 14 September 2010
Excimer states in microhydrated adenine clusters
Smith V.R., Samoylova E., Ritze H.-H. et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 33 , published: 03 September 2010
Теоретическое исследование конформационных особенностей трехосмиевых кластеров
Потемкин В.А./Ившина Н.Н./Максаков В.А.
Ж. структур. химии, Vol: 50, No: прил. , published: 16 August 2010
Paracyclophanes as model compounds for strongly interacting π-systems. Pt 1. Pseudo-ortho-dihydroxy[2.2]paracyclophane
Schon Christof/Roth Wolfgang/Fischer Ingo/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 32 , published: 06 August 2010
Effect of hydrogen bonds on polarizability of a water molecule in (H2O)N (N=6, 10, 20) isomers
Yang Fang/Wang Xin/Yang Mingli/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 32 , published: 06 August 2010
Vibration—rotation-tunneling states of the benzene dimer: an ab initio study
van der Avoird Ad/Podeszwa Rafal/Szalewicz Krysztof/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 29 , published: 16 July 2010
Rotational study of carbon monoxide isotopologues in small 4Heclusters
Raston P.L./Xu Y./Jager W./et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 29 , published: 16 July 2010
Оптическое заселение ионно-парных состояний I2 через валентные состояния, сходящихся к третьему, I(2 P1/2)+I(2P1/2), пределу диссоциации и их ван-дер-ваальсовы комплексы MI,  M=I2, Xe. I. λ 1=5321-5508 ~Å
Лукашов С.С./Порецкий С.А./Правилов А.М./и др.
Оптика и спектроскопия, Vol: 109, No: 4 , published: 15 June 2010
Оптическое заселение ионно-парных состояний I2 через валентные состояния, сходящихся к третьему, I(2P1/2)+I(2P1/2), пределу диссоциации и их ван-дер-ваальсовы комплексы MI2, M=I2, Xe. II. λ1=5508-5530 ~Å
Лукашов С.С./Порецкий С.А./Правилов А.М./и др.
Оптика и спектроскопия, Vol: 109, No: 4 , published: 15 June 2010
Теоретическое исследование оптических свойств кластеров золота
Матулис В.Э./Палагин Д.М./Ивашкевич О.А.
Ж. общ. химии, Vol: 80, No: 6 , published: 09 June 2010
Improved interaction energy benchmarks for dimers of biological relevance
Podeszwa Rafal/Patikowski Konrad/Szalewicz Kryzystof
Phys. Chem. Chem. Phys., Vol: 12, No: 23 , published: 04 June 2010
Comparison of cationic, anionic and neutral hydrogen bionded dimers
Lee Han Myoung/Kumar Anupriya/Kotaski Maciej/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 23 , published: 04 June 2010
Accurate dispersion interactions from standard density-functional theory methods with small basis sets
Mackie Isin D./DiLabio Gino A.
Phys. Chem. Chem. Phys., Vol: 12, No: 23 , published: 04 June 2010
Особенности генерации высших гармоник в плазме, содержащей нанокластеры, с использованием одноцветной и двухцветной накачек
Ганеев Р.А./Singhal H./Naik P.A./и др.
Оптика и спектроскопия, Vol: 108, No: 5 , published: 16 May 2010
On the electonic structure and stability of icosahedral r-X2Z10H12  and Z12H122-  clusters; r= {ortho, meta, para}, X={C, Si}, Z={B, Al}
Oliva Josep M.von Rague Schleyer Paul/Aullon Gabriel/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 19 , published: 07 May 2010
Oxidization states of metal atoms in linear bimetallic multi-sandwich molecules Vn(FeCp2)(n+1) and magnetic moment enhancement mechanism of its 1D wire
Shen Lei.Jin Hongmei/Ligatchev Valeri/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 18 , published: 30 April 2010
On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles
Oviedo O.A./Mariscal M.M./Leiva E.P.M.
Phys. Chem. Chem. Phys., Vol: 12, No: 18 , published: 30 April 2010
Role of van der Waals interaction in forming molecule-metal junctions: flat organic molecules on the Au(111) surface
Mura M./Gulans A./Thonhauser T./Kantorovich L.
Phys. Chem. Chem. Phys., Vol: 12, No: 18 , published: 30 April 2010
Theoretical analysis of hydrogen bonding in catechol-n(H2O) clusters (n=0...3)
Gomez-Zaleta Berenice/Gomez-Balderas Rodolfo/Hernandez-Trujillo Jesus
Phys. Chem. Chem. Phys., Vol: 12, No: 18 , published: 30 April 2010
Измерение температуры наночастицы (CO2)N в кластерном пучке с помощью молекул SF6, используемых в качестве миниатюрных зондов-термометров
Макаров Г.Н./Петин А.Н.
Ж. эксперим. и теор. физ., Vol: 137, No: 4 , published: 22 April 2010
Active sites of stoichiometric cerium oxide cations (CemO2m+) probed by reactions with carbon monoxide and small hydrocarbon molecules
Wu Xiao-Nan/Zhao Yan-Xia/Xue Wei/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 16 , published: 16 April 2010
Structural, electronic, magnetic and optical properties of icosahedral silver—nickel nanoclusters
Harb Moussab/Rabilloud Franck/Simon Daniel
Phys. Chem. Chem. Phys., Vol: 12, No: 16 , published: 16 April 2010
Infrared vibrational spectra as a structural probe of gasous ions formed by caffeine and theophylline
Marta Richard A./Wu Ronghu/Eldridge Kris R./et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 14 , published: 02 April 2010
Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions
Morgado Claudio A./Jurecka Petr/Svozil Daniel/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 14 , published: 02 April 2010
Photoelectron spectroscopy of homogeneous nucleic acid base dimer anions
Ko Yeon Jae/Wang Haopeng/Cao Rui/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 14 , published: 02 April 2010
Single-active-electron potentials for molecules in intense laser fields
M. Abu-samha and L. B. Madsen
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 81, No: 3 , published: 22 March 2010
Ionization of cytosine monomer and dimer studied by VUV photoionization and electronic structure calculations
Kostko Oleg, Bravaya Ksenia, Krylov Anna, Ahmed Musahid
Phys. Chem. Chem. Phys., Vol: 12, No: 12 , published: 19 March 2010
Adenine ribbon stabilized by Watson-Crick and Hoogsteen hydrogen Bonds: WFT and DFT study
Zierkiewicz Wiktor, Michalska Danuta, Hobza Pavel
Phys. Chem. Chem. Phys., Vol: 12, No: 12 , published: 19 March 2010
Excited state polarizabilities of methanol clusters
Gupta Kartick, Ghanty Rapan K., Ghosh Swapan K.
Phys. Chem. Chem. Phys., Vol: 12, No: 12 , published: 19 March 2010
ИК-спектры в матрицах и квантово-химические расчеты продуктов взаимодействия малых кластеров никеля с молекулами воды
Серебренников Л.В./Давлятшин Д.И./Головкин А.В.
Ж. физ. химии, Vol: 84, No: 12 , published: 14 March 2010
Experimental and theoretical study of neutral AlmCn and AlmCnHx clusters
Dong Feng/Heinbuch Scott/Xie Yan/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 11 , published: 12 March 2010
The effect of π-stacking, H-bonding, and electrostatic interactions on the ionization energies of nucleic acid bases: adenine—adenine, thymine—thymine and adenine—thymine dimers
Bravaya Ksenia B./Kostko Oleg/Ahmed Musahid/Krylov Anna I.
Phys. Chem. Chem. Phys., Vol: 12, No: 10 , published: 05 March 2010
Comparative DEFT study of structure and magnetism of TMnOm (TM=Sc—Mn, n=1—2, m=1—6) clusters
Wang Yanbiao/Gong Xinixn/Wang Jinlan
Phys. Chem. Chem. Phys., Vol: 12, No: 10 , published: 05 March 2010
All-electron relativistic calculation on Au5X (X-Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn) clusters
Kuang Xiang-jung/Wang Xin-qiang/Liu Gao-bin
Indian J. Phys., Vol: 84, No: 3 , published: 01 March 2010
Theoretical analysis of intermolecular interactions of selected residues of triosephosphate isomerase from Trypanosoma cruzi with its inhibitor 3-(2-benzothiazolythio)-1-propanesulfonic acid
Chavez-Calvillo Rodrigo/Costas Miguel/Hernandez-Trujillo Jesus
Phys. Chem. Chem. Phys., Vol: 12, No: 9 , published: 26 February 2010
Modeling nano-clusters and nucleation
Catlow C. Richard A./Bromley Stefan T./Hamad Said/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 4 , published: 22 January 2010
Oxidation reactions on neutral cobalt oxide clusters: experimental and theoretical studies
Xie Yan/Dong Feng/Heinbuch Scott/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 4 , published: 22 January 2010
Mercury dications: linear form is more stable than aromatic ring
Tibor Höltzl, Minh Tho Nguyen and Tamás Veszprémi
Phys. Chem. Chem. Phys., Vol: 12, No: 3 , published: 15 January 2010
Квантово-химическое моделирование структурных, электронных и спиновых характеристик NV-центров в наноструктированном алмазе: влияние поверхности
Пушкарчук В.А./Килин С.Я./Низовцев А.П./и др.
Оптика и спектроскопия, Vol: 108, No: 2 , published: 14 January 2010
The 1,4-phenylenediisocyanide dimer: gas-phase properties and insights into organic self-assembled monolayers
Steele Ryan P./DiStasio Robert A., Jr,/Head-Gordon Martin/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 1 , published: 01 January 2010
Детектирование молекул SF[6], сублимирующих с поверхности наночастиц (CO[2])[N] в кластерном пучке, методом ИК многофотонного возбуждения
Макаров Г.Н./Петин А.Н.
Письма в ЖЭТФ, Vol: 89, No: 7-8 , published: 26 December 2009
Стационарные состояния и диссоциация радикала H[3]O в кластерах воды
Чулков С.К./Степанов Н.Ф./Новаковская Ю.В.
Ж. физ. химии, Vol: 83, No: 5 , published: 25 December 2009
Theoretical and REMPI spectroscopic study on phenylhydrazine and phenylhydrazine–(Ar)n (n = 1, 2) van der Waals complexes
Xiao Daoqing/Yu Dan/Xu Xiling/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 18 , published: 25 December 2009
Структурные параметры водных растворов фторида калия в гидротермальных условиях
Федотова М.В./Гаврилова Е.Л.
Ж. общ. химии, Vol: 79, No: 1 , published: 11 December 2009
Исследование процессов ионизации кластеров Ar[n], (H[2]O)[n], Ar[n](H[2]O)[m] электронным ударом
Ходорковский М.А./Артамонова Т.О./Мурашов С.В./и др.
Ж. техн. физ., Vol: 79, No: 1 , published: 01 December 2009
Молекулярно-динамическое моделирование кинетики нуклеации кластеров переохлажденного расплава NaCl
Бушуев Ю.Г./Давлетбаева С.В.
Ж. физ. химии, Vol: 83, No: 4 , published: 27 November 2009
Электронные спектры кластеров хлорида четырехвалентного урана с электродонорными лигандами
Комяк А.И./Зажогин А.П./Умрейко Д.С./Луговский А.А.
Ж. прикл. спектроскопии, Vol: 76, No: 2 , published: 24 November 2009
Study on the structure and vibrational dynamics of functional molecules and molecular clusters by double resonance vibrational spectroscopy
Ebata Takayuki
Bull. Chem. Soc. Jpn., Vol: 82, No: 2 , published: 07 November 2009
Design of porphyrin nanoclusters toward discovery of novel properties and functions
Tsuda Akihiko
Bull. Chem. Soc. Jpn., Vol: 82, No: 1 , published: 02 November 2009
Structures and composition-dependent polarizabilities of open- and closed-shell GanAsm semiconductor clusters
Panaghiotis Karamanis, Phillipe Carbonnière, and Claude Pouchan
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 5 , published: 02 November 2009
Структура и радиофизические свойства растворов солей в жидких полярных диэлектриках
Казарян М.А./Шаманин И.В./Мельник Н.Н./и др.
Хим. физ., Vol: 28, No: 2 , published: 22 October 2009
К теории сканирующей туннельной микроскопии наноразмерных кластеров
Балашов Е.М./Иванов Г.К.
Хим. физ., Vol: 28, No: 2 , published: 22 October 2009
Ионно-парные состояния комплексов молекулы иода с инертными газами
Акопян М.Е./Лукашов С.С./Порецкий С.А./Правилов А.М.
Ж. физ. химии, Vol: 83, No: 1 , published: 16 October 2009
Statistical fluctuations in energy loss for swift heavy ions in thick polymeric foils
Pratibha K. Gulati, Neetu Munjal, P. K. Diwan, V. Sharma, S. Kumar, S. A. Khan, and D. K. Avasthi
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 24 September 2009
Self-consistent cluster approximation analysis of the OH stretching bands of methanol in the liquid state
Kanesaka Isao
Bull. Chem. Soc. Jpn., Vol: 82, No: 8 , published: 15 September 2009
Hemspheroidal atomic clusters on planar surfaces
Poenaru D.N./Gherghescu R.A./Plonski I.H./et al.
Rom. J. Phys., Vol: 54, No: 5-6 , published: 10 September 2009
Raman scattering of molecular graphenes
Tommasini M./Castiglioni C./Zerbi G.
Phys. Chem. Chem. Phys., Vol: 11, No: 43 , published: 08 September 2009
Универсальный зондовый метод измерения температуры больших кластеров (наночастиц) в кластерном пучке
Макаров Г.Н./Петин А.Н.
Письма в ЖЭТФ, Vol: 90, No: 9-10 , published: 31 August 2009
Pathways for hydrogen bond switching in a tetrameric methanol cluster
Mella Massimo/Harris Kenneth D.M.
Phys. Chem. Chem. Phys., Vol: 11, No: 47 , published: 26 August 2009
Ab Initio Study of Fluorine in Silicon: Large Clusters and the Dominant Mobile Defect
Kilian Vollenweider, Beat Sahli, and Wolfgang Fichtner
Phys. Rev. Lett., Vol: 103, No: 7 , published: 13 August 2009
Direct autocorrelation of soft-x-ray free-electron-laser pulses by time-resolved two-photon double ionization of He
R. Mitzner, A. A. Sorokin, B. Siemer, S. Roling, M. Rutkowski, H. Zacharias, M. Neeb, T. Noll, F. Siewert, W. Eberhardt, M. Richter, P. Juranic, K. Tiedtke, and J. Feldhaus
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 2 , published: 12 August 2009
Calorimetric Observation of the Melting of Free Water Nanoparticles at Cryogenic Temperatures
C. Hock, M. Schmidt, R. Kuhnen, C. Bartels, L. Ma, H. Haberland, and B. v.Issendorff
Phys. Rev. Lett., Vol: 103, No: 7 , published: 10 August 2009
Plasmon-Induced Enhancement of Quantum Interference near Metallic Nanostructures
Vassilios Yannopapas, Emmanuel Paspalakis, and Nikolay V. Vitanov
Phys. Rev. Lett., Vol: 103, No: 6 , published: 06 August 2009
Theoretical study of intermolecular interactions in meso-tetraphenylporphyrin diacid dimer (H4TPPCl2)2
Ma Yan-Ping/He Sheng-Gui/Ding Xun-Lei/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 14 , published: 05 August 2009
A density functional study on cationic AunCum+clusters and their monocarbonyls
Zhao Yu/Li Zhenyu/Yang Jinlong
Phys. Chem. Chem. Phys., Vol: 11, No: 13 , published: 05 August 2009
Antiferromagnetic resonance in sodium clusters in sodalite
Nakano Takehito/Kashiwagi Takanari/Hanazawa Atsufumi/et al.
J. Phys. Soc. Jpn., Vol: 78, No: 8 , published: 05 July 2009
Theoretical study of atmospheric clusters: HNO3–HCl–H2O
Gomez P.C./Galvez O./Escribano R.
Phys. Chem. Chem. Phys., Vol: 11, No: 42 , published: 09 June 2009
The CO—Ne van der Waals complex: ab initio intermolecular potential energy, interaction induced electric dipole moment and polarizability surfaces, and second virial coefficients
Baranowska Angelika/Fernandez Berta/Rizzo Antonio/Janski Branislav
Phys. Chem. Chem. Phys., Vol: 11, No: 42 , published: 09 June 2009
Протонный беспорядок и энергетика газогидратных каркасов
Киров М.В./Манаков А.Ю./Солодовников С.Ф.
Изв. РАН. Сер. физ., Vol: 73, No: 11 , published: 09 June 2009
Hydrides and dimers of C58  fullerenes: structures and stabilities
Bihlmeier Angela/Klopper Wim
Phys. Chem. Chem. Phys., Vol: 11, No: 7 , published: 09 June 2009
Onset of carbon–carbon bonding in the Nb5Cy (y = 0–6) clusters: a threshold photo-ionisation and density functional theory study
Dryza Viktoras/Gascooke Jason R./Buntine Mark A./Metha Gregory F.
Phys. Chem. Chem. Phys., Vol: 11, No: 7 , published: 09 June 2009
In situ investigation of molecular kinetics and particle formation of water-dispersible titania nanocrystals
Garnweitner G./Grte C.
Phys. Chem. Chem. Phys., Vol: 11, No: 19 , published: 09 June 2009
A density functional investigation of thiolate-protected bimetal PdAu24(SR)18zclusters: doping the superatom complex
Kacprzak Katarzyna A./Lehtovaara Lauri/Akola Jaakko/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 33 , published: 09 June 2009
Квантовохимические расчеты комплексов малых кластеров железа Fe[n](n=1-4) с молекулами воды,метана и бензола
Ермаков А.И./Казакова Е.М.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 6 , published: 04 June 2009
X-ray spectroscopy reveals high symmetry and electronic shell structure of transition-metal-doped silicon clusters
J. T. Lau, K. Hirsch, Ph. Klar, A. Langenberg, F. Lofink, R. Richter, J. Rittmann, M. Vogel, V. Zamudio-Bayer, T. Möller, and B. v. Issendorff
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 5 , published: 22 May 2009
Термодинамика флюидов. Качественное рассмотрение
Маслов В.П.
Теор. и мат. физ., Vol: 161, No: 2 , published: 20 May 2009
Термодинамика флюидов, закон перераспределения энергий, двумерный конденсат и Т-отображение
Маслов В.П.
Теор. и мат. физ., Vol: 161, No: 3 , published: 20 May 2009
Electron spin resonance spectroscopy in drug delivery
Martini Giacomo/Ciani Laura
Phys. Chem. Chem. Phys., Vol: 11, No: 2 , published: 19 May 2009
Skeletal Ru/Cu catalysts prepared from crystalline and quasicrystalline ternary alloy precursors: characterization by X-ray absorption spectroscopy and CO oxidation
Highfield James/Liu Tao/Loo Yook Si/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 8 , published: 19 May 2009
Phase diagram of Ag-Pd bimetallic nanoclusters by molecular dynamics simulations: solid-to-liquid transition and size-dependent behavior
Kim Da Hye/Kim Hyun You/Ryu Ji Hoon/Lee Hyuck Mo
Phys. Chem. Chem. Phys., Vol: 11, No: 25 , published: 14 May 2009
A unique self-assembled (H2O)16watercluster in an inorganic crystal host
Li Jiyang/Yu Jihong/Xu Ruren
Phys. Chem. Chem. Phys., Vol: 11, No: 9 , published: 14 May 2009
Hydroxide trapped in the interior of ice: a computational study
Cwiklik Lukasz/Buch Victoria
Phys. Chem. Chem. Phys., Vol: 11, No: 9 , published: 14 May 2009
Formation and localization of a solvated electron in ground and low-lying excited states of Li(NH3)n and Li(H2O)nclusters: a comparison with Na(NH3)n and Na(H2O)n
Hashimoto Kenro/Daigoku Kota
Phys. Chem. Chem. Phys., Vol: 11, No: 41 , published: 14 May 2009
Anion clusters of naphthalene and solvents: structure, ion core, and intermolecular interactions
Lee Sang Hak/Kim Jeong Hyun/Chu Inho/Song Jae Kyu
Phys. Chem. Chem. Phys., Vol: 11, No: 41 , published: 14 May 2009
Nanoclusters of room temperature ionic liquids: a molecular dynamics simulation study
Sarangi S.S./Bhargava B.L./Balasubramanian S.
Phys. Chem. Chem. Phys., Vol: 11, No: 39 , published: 14 May 2009
Gas phase fragmentation of protonated betaine and its clusters
Jean Ann Wyer, Linda Feketeová, Steen Brøndsted Nielsen and Richard A. J. O’Hair
Phys. Chem. Chem. Phys., Vol: 11, No: 39 , published: 14 May 2009
Adsorption of dioxygen to copper in CuHY zeolite
Santra Shampa/Archipov Tanja/Ene Augusta B./et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 39 , published: 14 May 2009
Theoretical and experimental study of infrared spectra of He2-CO2
Tang Jian/McKellar A.R.W./Wang Xiao-Gang/Carrington Tucker, Jr.
Can. J. Phys., Vol: 87, No: 5 , published: 10 May 2009
Изучение взаимодействия кофеина с ДНК в водном растворе методом Монте-Карло с использованием параллельных вычислений
Калугин М.Д./Теплухин А.В.
Ж. структур. химии, Vol: 50, No: 5 , published: 05 May 2009
Комплексы феррожидкостей с фотодитазином и перспективы их применения в фотодинамической терапии
Кульведис Ю.В./Трунов В.А./Лебедев В.Т./и др.
Ж. структур. химии, Vol: 50, No: 5 , published: 05 May 2009
Характерные особенности расщепления ДНК ультразвуком
Нечипуренко Ю.Д./Головкин М.В./Нечипуренко Д.Ю./и др.
Ж. структур. химии, Vol: 50, No: 5 , published: 05 May 2009
Образование наночастиц серебра в редокс-реакции нитрата серебра(I) с кристаллическими макроциклическими соединениями никеля(II)
Андрийчук И.Л./Цымбал Л.В./Лампека Я.Д.
Теор. и эксперим. химия, Vol: 45, No: 5 , published: 05 May 2009
Фотохимический синтез наночастиц серебра в матрицах полвинилового спирта
Куценко А.С./Гранчак В.М.
Теор. и эксперим. химия, Vol: 45, No: 5 , published: 05 May 2009
Структурые параметры гидратных комплексов Cu{2+} в водных растворах его солей
Смирнов П.Р./Тростин В.Н.
Ж. общ. химии, Vol: 79, No: 8 , published: 29 April 2009
Математическое моделирование процесса взаимодействия излучения с наночастицами
Садыков Н.Р./Скоркин Н.А.
Ж. техн. физ., Vol: 79, No: 9 , published: 29 April 2009
Parameter optimization for fusion neutron yield from deuterium cluster explosion driven by intense femtosecond laser pulses
Hongyu Li, Jiansheng Liu, Guoquan Ni, Ruxin Li, and Zhizhan Xu
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 4 , published: 16 April 2009
Probing the 2D to 3D Structural Transition in Gold Cluster Anions Using Argon Tagging
Wei Huang and Lai-Sheng Wang
Phys. Rev. Lett., Vol: 102, No: 15 , published: 15 April 2009
Нетривиаьные масштабно-инвариантные свойства дипольных кластеров
Алехин А.П.
Хим. физ., Vol: 28, No: 7 , published: 09 April 2009
Energy gap between highest occupied molecular orbital and lowest unoccupied molecular orbital in multiwalled fullerenes
M. Pudlak and R. Pincak
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 31 March 2009
Димерная форма пероксинтрита
Симон К.В./Тулуб А.В.
Оптика и спектроскопия, Vol: 107, No: 1 , published: 26 March 2009
Dead-time-free ion momentum spectroscopy of multiple ionization of Xe clusters irradiated by euv free-electron laser pulses
H. Fukuzawa, X.-J. Liu, G. Prümper, M. Okunishi, K. Shimada, K. Ueda, T. Harada, M. Toyoda, M. Yanagihara, M. Yamamoto, H. Iwayama, K. Nagaya, M. Yao, K. Motomura, N. Saito, A. Rudenko, J. Ullrich, L. Foucar, A. Czasch, R. Dörner, M. Nagasono, A. Higashiya, M. Yabashi, T. Ishikawa, H. Ohashi, and H. Kimura
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 24 March 2009
Изучение структурной стабильности систем LnNb[x]O[y] (Ln=La, Ce, Pr, Nd, Pm, Sm, Eu) X[_a]-методом дискретного варьирования
Юрьева Э.И./Резницких О.Г./Бамбуров В.Г.
Изв. РАН. Сер. физ., Vol: 73, No: 7 , published: 19 March 2009
Гигантское усиление света в атомных кластерах
Гадомский О.Н./Гадомская И.В./Алтунин К.К.
Письма в ЖЭТФ, Vol: 90, No: 3-4 , published: 19 March 2009
Комьпютерное моделирование нуклеации паров воды на заряженных наночастицах
Шевкунов С.В.
Ж. эксперим. и теор. физ., Vol: 136, No: 2 , published: 19 March 2009
Comparative study on the geometric and energetic properties, absorption spectra, and polarizabilities of charged and neutral Cu@Sin clusters (n=9–14)
You-Zhao Lan and Yun-Long Feng
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 3 , published: 17 March 2009
Исследование оксида сурьмы(III) методами колебательной спектроскопии и квантовой химии
Войт Е.И./Панасенко А.Е./Земнухова Л.А.
Ж. структур. химии, Vol: 50, No: 1 , published: 14 March 2009
Кристаллическая структура [(C5Me4Et)3Rh33-Se)2](PF6)2CH3CN и [(C5Me4Et)2Rh22-Cl)3]PF6
Абрамов П.А./Соколов М.Н./Вировец А.В./Федин В.П.
Ж. структур. химии, Vol: 50, No: 1 , published: 14 March 2009
Димеризация медь(II)тетра-4-алкоксибензоилксифталоцианина в бензоле, о-ксилоле и хлороформе
Ваширун А.С./Лебедева Н.Ш./Вьюгин А.И./и др.
Изв. вузов. Химия и хим. технол., Vol: 52, No: 8 , published: 21 February 2009
Расчет термодинамических потенциалов изменения трансляционных, ротационных и вибрационных степеней свободы при димеризации ароматических молекул
Костюков В.В./Хомутова Н.М./Евстигнеев М.П.
Хим. физ., Vol: 28, No: 9 , published: 04 February 2009
Структура малых нанокластеров водорода, включающих ортомолекулы
Акимов В.М./Колесникова Л.И./Русин Л.Ю./и др.
Хим. физ., Vol: 28, No: 9 , published: 04 February 2009
Константы квадрупольной связи дейтронов в молекулярных кластерах Ca{2+} (D[2]O)[n] (n=6, 8, 10, 18)
Павлова М.С./Чижик В.И.
Изв. РАН. Сер. физ., Vol: 2009, No: 8 , published: 02 February 2009
Природа активных центров в высококремнистых цеолитах, содержащих наночастицы платины и кобальта
Михайлов М.Н./Логинова А.Н./Кустов Л.М.
Изв. РАН. Сер. физ., Vol: 2009, No: 8 , published: 02 February 2009
Обратимая сорбция водорода новым гибридным материалом на основе мезопористого терефталата хрома(III) с включенными кластерами рения
Дыбцев Д.Н./Коваленко К.А./Миронов Ю.В./и др.
Изв. РАН. Сер. физ., Vol: 2009, No: 8 , published: 02 February 2009
Hyperfine energy levels of alkali-metal dimers: Ground-state homonuclear molecules in magnetic fields
J. Aldegunde and Jeremy M. Hutson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 1 , published: 06 January 2009
Властивостi двовимiрного кулонiвського газу в областi домiнування квадурпольних кластерiв
Булавiн Л.А./Маломуж М.М.
Укр. фiз. ж., Vol: 53, No: 7 , published: 26 December 2008
Строение бис(трифторметансульфонил)имида в инертных и протофильных средах
Чипанина Н.Н./Стерхова И.В./Аксаментова Т.Н./и др.
Ж. общ. химии, Vol: 78, No: 12 , published: 25 December 2008
Кооперативные эффекты в полимолекулярных кластерах азота
Грибанова Т.Н./Милов А.А./Стариков А.Г./и др.
Изв. РАН. Сер. хим., Vol: 2008, No: 10 , published: 14 December 2008
Исследование кластеризации атомов и молекул в импульсной газодинамической струе с помощью пироэлектрического приемника
Макаров Г.Н./Петин А.Н.
Ж. эксперим. и теор. физ., Vol: 134, No: 5 , published: 10 December 2008
Строение и электронная структура гетерометаллического Mo[2]Mg[2]-кластера при различных степенях окисления Mo, теоретическое изучение методом функционала плотности
Савиных Т.А./Шестаков А.Ф.
Изв. РАН. Сер. хим., Vol: 2008, No: 3 , published: 09 December 2008
Особливостi люмiесценцi~:i системи ДНК _- стирилцiанiновий барвник
Токар В.П./Лосицький М.Ю./Ящук В.М.
Укр. фiз. ж., Vol: 53, No: 12 , published: 09 December 2008
Theoretical study on the spectroscopic properties of CO3-   . nH2 clusters: extrapolation to bulk
Pathak A.K./Mukherjee T./Maity D.K.
ChemPhysChem., Vol: 9, No: 15 , published: 30 November 2008
Cooperativity between the halogen bond and the hydrogen bond in H3N....XY...HF complexes (X, Y=F, Cl, Br)
Li Q./Lin Q./Li W./et al.
ChemPhysChem., Vol: 9, No: 15 , published: 30 November 2008
Energetics and structures of charged helium clusters: comparing stabilities of dimer and trimer cationic cores
Marinetti F./Bodo E./Gianturco F.A./Yurtsever E.
ChemPhysChem., Vol: 9, No: 17 , published: 30 November 2008
Mod~1elisation classique de champs de forces d'interactions additives dans les agregats de type X+ Arn, (X=Li et K); mecanisme de croissance
Ben Salem F./Taarit F./Ben El Rhouma M./Ben Lakhdar Z.
Can. J. Phys., Vol: 86, No: 7 , published: 28 November 2008
Теоретическое исследование структурных и энергетических параметров ван-дер-ваальсова комплекса катиона Li{+} с молекулой N[2]
Буланин К.М./Булычев В.П./Рязанцев М.Н.
Оптика и спектроскопия, Vol: 105, No: 6 , published: 26 November 2008
Photodissociation of hydrated hydrogen iodide clusters
Lee H.M./Klaski M./Kim K.S.
ChemPhysChem., Vol: 9, No: 4 , published: 24 November 2008
Which properties of a spanning network of hydration water enable biological functions?
Brovchenko I./Olienikova A.
ChemPhysChem., Vol: 9, No: 18 , published: 23 November 2008
Spectral signatures of the pentagonal water cluster in bacteriorhodopsin
Baer M./Mathias G./Kuo I.F.W./et al.
ChemPhysChem., Vol: 9, No: 18 , published: 23 November 2008
Thermodynamic and structural characterization of the transofrmation from a metastable low-density to a very high-density form of supercooled TIP4P-Ew model water
Paschek D./Ruppert A./Geiger A.
ChemPhysChem., Vol: 9, No: 18 , published: 23 November 2008
The solvent-dependent shift of the amide I band of a fully solvated peptide as a local probe for the solvent composition in the peptide/solvent interface
Paschek D./Puhse M./Perez-Goicochea A./et al.
ChemPhysChem., Vol: 9, No: 18 , published: 23 November 2008
Sequence -specific positions of water molecules at the interface between DNA and minor groove binders
Spitzer G.M./Fuchs J.E./Markt P./et al.
ChemPhysChem., Vol: 9, No: 18 , published: 23 November 2008
How does a membrane protein acieve a vectorial proton transfer via water molecules?
Wolf S./Freier E./Gerwert K.
ChemPhysChem., Vol: 9, No: 18 , published: 23 November 2008
Small-angle X-ray scattering and near-infrared vibrational spectroscopy of water confined in aerosol-OT reverse micelles
Balakrishnan S./Javid N./Weingartner H./Winter R.
ChemPhysChem., Vol: 9, No: 18 , published: 23 November 2008
Hydration dynamics of water near an amphiphilic model peptide at low hydration levels: a dielectric relaxation study
Sasisanker P./Weingartner H.
ChemPhysChem., Vol: 9, No: 18 , published: 23 November 2008
Effects of isomerization on the measured thermochemical properties of deprotonated glycine/protic-solvent clusters
Nieckarz R.J./Atkins C.G./McMahon T.B.
ChemPhysChem., Vol: 9, No: 18 , published: 23 November 2008
О новых формулах распределения для классического газа, кластеров и фазовых переходов
Маслов В.П.
Теор. и мат. физ., Vol: 157, No: 2 , published: 20 November 2008
Electronic and vibrational spectroscopy of 1-methylthymine and its water clusters: the dark state survives hydration
Busker M./Nispel M./H¨aber T./et al.
ChemPhysChem., Vol: 9, No: 11 , published: 18 November 2008
Selective homogeneous and heterogeneous gold catalysis with alkynes and alkenes: similar behavior, different origin
Garcia-Mota M./Cabello N./Maseras F./et al.
ChemPhysChem., Vol: 9, No: 11 , published: 18 November 2008
Gas phase ion chemistry of gold-silicon clusters
Cao Yali/Hockendorf Robert F./Beyer Martin K.
ChemPhysChem., Vol: 9, No: 10 , published: 09 November 2008
Avoided crossings between bound states of ultracold cesium dimers
Jeremy M. Hutson, Eite Tiesinga, and Paul S. Julienne
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 5 , published: 05 November 2008
Структура гидратной оболочки ионизированной молекулы HCl в парах воды
Шевкунов С.В.
Ж. физ. химии, Vol: 82, No: 11 , published: 02 November 2008
Computationa study of CO reactivity with Nb[3]X heteronuclear clusters
Addicoat Matthew A./Methya Gregory F.
Austral. J. Chem., Vol: 61, No: 11 , published: 30 October 2008
Взаимосвязь пространственной структуры молекул насыщенных углеводородов с теплотами их адсорбции
Сережкин В.Н./Прокаева М.А./Пушкин Д.В./и др.
Ж. физ. химии, Vol: 82, No: 8 , published: 23 October 2008
Упорядочение дипольных моментов молекул в наноразмерном кластере воды
Дубов Д.Ю./Востриков А.А.
Письма в ЖЭТФ, Vol: 88, No: 9-10 , published: 23 October 2008
Кластерный механизм антипарникового эффекта
Чуканов В.Н./Галашев А.Е.
Докл. РАН, Vol: 421, No: 6 , published: 23 October 2008
Фуллерит C[60], интеркалированный фреоном CH[2]F[2]
Шульга Ю.М./Мартыненко В.М./Баскаков С.А./и др.
Ж. физ. химии, Vol: 82, No: 7 , published: 23 October 2008
Рентгеноструктурный и конформационный анализ нового трехъядерного кластера осмия Os[3](_m,_h{2}-OCC[6]H[5])(_g{3}-C[3]H[5])(CO)[9]
Максаков В.А./Первухина Н.В./Подберезская Н.В./и др.
Ж. структур. химии, Vol: 49, No: 5 , published: 22 October 2008
Статистика разбиений кинетической энергии малых нанокластеров
Аквиланти В./Ломбардин А./Севрюк М.Б.
Хим. физ., Vol: 27, No: 11 , published: 22 October 2008
Исследование туннельной проводимости и электронной экранировки в нанокластерах d-металлов на поверхности графита
Пушкин М.А./Борисюк П.В./Троян В.И./и др.
Изв. РАН. Сер. физ., Vol: 72, No: 7 , published: 19 October 2008
Вторичная ионная эмиссия при бомбардировке висмута кластерными ионами Bi[m]{_-} и Au[m]{_-}
Морозов С.Н./Расулев У.Х.
Изв. РАН. Сер. физ., Vol: 72, No: 7 , published: 19 October 2008
Фрагментация распыленных кластеров Si[n]O[m]{+}: кинетические энергии распада и энергии диссоциации
Джемилев Н.Х./Коваленко С.Ф./Лифанова Л.Ф./и др.
Изв. РАН. Сер. физ., Vol: 72, No: 7 , published: 19 October 2008
Кинетические уравнения и рост нанокристаллов в методах молекулярно-пучковой эпитаксии
Трушин Ю.В./Куликов Д.В./Сафонов К.Л./Раушенбах Б.
Изв. РАН. Сер. физ., Vol: 72, No: 7 , published: 19 October 2008
Hyperfine energy levels of alkali-metal dimers: Ground-state polar molecules in electric and magnetic fields
J. Aldegunde, Ben A. Rivington, Piotr S. Żuchowski, and Jeremy M. Hutson
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 30 September 2008
Напряженные связи в кластерных комплексах[Re4Q4X12]4- (Q=S, Se, Te; X=F, CN-) по данным AIM и ELF
Рыжиков М.Р./Козлова С.Г./Габуда С.П.
Ж. структур. химии, Vol: 49, No: 4 , published: 25 September 2008
Антисимметрия и стабильность водных систем. IV. Малые кластеры произвольной формы
Киров М.В.
Ж. структур. химии, Vol: 49, No: 4 , published: 25 September 2008
Активация связи C_-S в мягких условиях: рентгеноструктурное и спектроскопическое исследование кластера Ru44S)(μ,η3-C3H5)2(CO)12
Приходько И.Ю./Кирин В.П./Максаков В.А./и др.
Ж. структур. химии, Vol: 49, No: 4 , published: 25 September 2008
Кристаллическая структура K2[Mo3(PdPPh3)S4(C2O4)3(H2O)3 ] · 0 .5H2O
Гущин А.Л./Соколов М.Н./Наумов Д.Ю./Федин В.П.
Ж. структур. химии, Vol: 49, No: 4 , published: 25 September 2008
Time-dependent density-functional-theory calculation of the van der Waals coefficient C6 of alkali-metal atoms Li, Na, K; alkali-metal dimers Li2, Na2, K2; sodium clusters Nan; and fullerene C60
Arup Banerjee, Jochen Autschbach, and Aparna Chakrabarti
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 3 , published: 11 September 2008
Research on structure and vibrational frequency of GaN neutral and ion clusters
Li Enling/Ma Deming/Liu Mancang/Wang Xuewen
Acta opt. sin=Guangxue xuebao , Vol: 29, No: 12 , published: 31 August 2008
Light-induced collapse of metastable magnesium complexes formed in helium nanodroplets
Andreas Przystawik, Sebastian Göde, Tilo Döppner, Josef Tiggesbäumker, and Karl-Heinz Meiwes-Broer
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 27 August 2008
From fission to explosion: Momentum-resolved survey over the Rayleigh instability barrier
M. Hoener, C. Bostedt, S. Schorb, H. Thomas, L. Foucar, O. Jagutzki, H. Schmidt-Böcking, R. Dörner, and T. Möller
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 78, No: 2 , published: 18 August 2008
Особенности формирования заряженных и нейтральных наночастиц в углеводородно-воздушных пламенах
Савельев А.М./Старик А.М./Титова Н.С./Фаворский О.Н.
Докл. РАН, Vol: 420, No: 6 , published: 09 June 2008
First-principles study of static polarizability, first and second hyperpolarizabilities of small-sized ZnO clusters
Li Lei/Zhou Zuowan/Wang Xin/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 45 , published: 09 June 2008
Dimer formation in the gas and condensed phases probed by infrared spectroscopy
Borba Ana/Albrecht Merwe/Gomez-Zavaglia Andrea/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 46 , published: 09 June 2008
Second-order exchange-induction energy of intermolecular interactions from coupled cluster density matrices and their cumulants
Korona Tatiana
Phys. Chem. Chem. Phys., Vol: 10, No: 43 , published: 09 June 2008
An accurate analytic representation of the water pair potential
Cencek Wojciech/Szalewicz Krzysztof/Leforestier Claude/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 32 , published: 09 June 2008
Gas phase hydration of organic ions
Momoh Paul O./El-Shall M. Samy
Phys. Chem. Chem. Phys., Vol: 10, No: 32 , published: 09 June 2008
Water hydrogen bond analysis on hydrophilic and hydrophobic biomolecule sites
Russo Dnaiela/Ollivier Jacques/Teixeira Jose
Phys. Chem. Chem. Phys., Vol: 10, No: 32 , published: 09 June 2008
Site-specific addition of D2O to the (H2O)6"hydrated electron" cluster: isomer interconversion and substituion at the double H-bond acceptor (AA) electron-binding site
McCunn Laura R./Headrick Jeffrey M./Johnson Mark A.
Phys. Chem. Chem. Phys., Vol: 10, No: 21 , published: 09 June 2008
High-pressure gas hydrates
Loveday J.S./Nelmes R.J.
Phys. Chem. Chem. Phys., Vol: 10, No: 7 , published: 09 June 2008
Aromaticity and antiaromaticity in transition-metal systems
Zubarev Dmitry Yu/Averkiev Boris B./Zhai Hua-Jin/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 2 , published: 09 June 2008
О возможности экспериментального наблюдения отдельных вращательных линий димера воды в равновесной газовой фазе
Крупнов А.Ф.\Зобов Н.Ф.
Оптика атмосферы и океана, Vol: 20, No: 9 , published: 27 May 2008
Дипольный захват медленного электрона кластером воды
Дубов Д.Ю.\Востриков А.А.
Письма в ЖЭТФ, Vol: 86, No: 7-8 , published: 23 May 2008
Sandwich-like compounds based on bare all-boron cluster B62−
Yang Lim-ming/Wang Jian/Ding Yi-hong/Sun Chia-chung
Phys. Chem. Chem. Phys., Vol: 10, No: 17 , published: 22 May 2008
Structure of hydrated clusters of dibenzo-18-crown-6-ether in a supersonic jet—encapsulation of water molecules in the crown cavity
Kusaka Ryoji/Inokuchi Yoshiya/Ebata Takayuki
Phys. Chem. Chem. Phys., Vol: 10, No: 41 , published: 20 May 2008
Two-particle density amtrix cumulant of coupled cluster theory
Korona Tatiana
Phys. Chem. Chem. Phys., Vol: 10, No: 37 , published: 20 May 2008
Density functional studies of model cerium oxide nanoparticles
Loschen Christoph/Migani Annapaola/Bromley Stefan T./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 37 , published: 20 May 2008
Developing paradigms of chemical bonding: adaptive natural density partitioning
Zubarev Dmitry Yu./Boldyrev Alexander I.
Phys. Chem. Chem. Phys., Vol: 10, No: 34 , published: 20 May 2008
Nanopatterned Ag substrates for SERS spectroscopy
Gellini Cristina/Muniz-Miranda Maruzio/Innocenti Massimo/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 31 , published: 20 May 2008
Loading-dependent structures of CO2 in the flexible molecular van der Waals hostp-tert-butylcalix[4]arene with 1 : 1 and 2 : 1 guest–host stoichiometries
Udachin Konstantin A./Moudrakovski Igor L./Enright Gary D./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 31 , published: 20 May 2008
Thermal induced phase transitions and structural relaxation in apoferritin encapsulated copper nanoparticles
Ceolin Marcelo/Galvez Natividad/Dominguez-Vera Jose M.
Phys. Chem. Chem. Phys., Vol: 10, No: 29 , published: 20 May 2008
Kinetics of the X-ray induced gold nanoparticle synthesis
Plech Anton/Kotaidis Vassilios/Siems Andreas/Sztucki M.
Phys. Chem. Chem. Phys., Vol: 10, No: 26 , published: 20 May 2008
Nanostructured Cu and Cu@Cu2O core shell catalysts for hydrogen generation from ammonia-borane
Kalidindi Suresh Babu/Sanyal Udishnu/Jagirdar Balaji R.
Phys. Chem. Chem. Phys., Vol: 10, No: 38 , published: 19 May 2008
Межмолекулярные взаимодействия и спектрально-люминесцентные свойства оптических молекулярных сенсоров
Плотников В.Г.\Сажников В.А.\Алфимов М.В.
Химия высок. энергий, Vol: 41, No: 5 , published: 15 May 2008
Кристаллизация и плавление системы зарядов в кластере жидкого гелия
Лившиц А.М.\Лозовик Ю.Е.
Ж. эксперим. и теор. физ., Vol: 132, No: 3 , published: 15 May 2008
Nature and physical origin of CH/π interaction: significant difference from conventional hydrogen bonds
Tsuzuki Seiji/Fujii Asuka
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
A post-SCF complete basis set study on the recognition patterns of uracil and cytosine by aromatic and π-aromatic stacking interactions with amino acid residues
Cysewski Piotr
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
Substituent effects in parallel-displaced π-π interactions
Arnstein Stephen A./Sherrill C. David
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations
Cozzi Franco/Annunziata Rita/Benaglia Maurizio/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
A QM/MM study of fluoroaromatic interactions at the binding site of carbonic anhydrase II, using a DFT method corrected for dispersive interactions
Morgado Claudio A./Hillier Ian H./Burton Neil A./McDouall Joseph J.W.
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
Describing weak interactions of biomolecules with dispersion-corrected denstiy functional theory
Lin I-Chun/Rothlisberger Ursula
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
The interaction of carbohydrates and amino acids with aromatic systems studied by density functional and semi-empirical molecular orbital calculations with dispersion corrections
Sharma Raman/McNamara Jonathan P./Raju Rajesh K./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
Calculating stacking interactions in nucleic acid base-pair steps using spin-component scaling and local second order Moller-Plesset perturbation theory
Hill J. Grant/Platts James A.
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
Controlled aggregation of adenine by sugars: physicochemical studies, molecular modelling simulations of sugar-aromatic CH-_p stacking interactions, and biological sinificance
Maresca Marc/Derghal Adel/Carravagna Celine/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
Computational comprasion of the stacking interactions between the aromatic amino acids and the natural or (cationic) mehylated nucleobases
Rutledge Lesley R./Durst Holly F./Welmore Stacey D.
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
Non-standard base pairing and stacked structures in methyl xanthine clusters
Callahan Michael P./Gengeliczki Zsolt/Svadlenak Nathan/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
CH/π interactions in methane clusters with polycyclic aromatic hydrocarbons
Tsuzuki Seiji/Honda Kazumasa/Fujii Asuka/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 19 , published: 14 May 2008
Accurate calculations of intermolecular interaction energies using explicity correlated wave functions
Marchetti Oliver/Werner Hans-Joachim
Phys. Chem. Chem. Phys., Vol: 10, No: 23 , published: 14 May 2008
Structures and electronic properties of C56Cl8 and C56Cl10 fullerene compounds
Chen De-Li\Tian Wei Quan\Feng Ji-Kang\Sun Chia-Chung
ChemPhysChem., Vol: 8, No: 16 , published: 13 May 2008
Tuning the geometric structure by doping silicon clusters
Gruene Philipp/Fielicke Andr~1e/Meijer Gerard/et al.
ChemPhysChem., Vol: 9, No: 5 , published: 10 May 2008
Global geometry optimization of water clusters (H[2]O)[n] (n _< 14) using a single-parent genetic algorithm
Zhang Su-Ling\Chen Hong-Shan\Song Yan\Yin Yue-Hong
Acta phys. sin., Vol: 56, No: 6 , published: 07 May 2008
Ground-state structure and magnetisms of Ge[n]Fe (n=1_-8) clusters: the density functional investigations
Zhao Wen-Jie\Yang Zhi\Yan Yu-Li\et al.
Acta phys. sin., Vol: 56, No: 6 , published: 07 May 2008
Characterization of the orientation of ethanol-water clusters by polarized fluorescence spectrum
Liu Ying\Song Chun-Yuan\He Wen-Liang\et al.
Acta phys. sin., Vol: 56, No: 6 , published: 07 May 2008
Внутренняя динамика димеров (H[2]O)[2] и (D[2]O)[2]. ~I~I. Эффективные операторы физических величин при учете инверсионного и обменного движений
Буренин А.В.
Оптика и спектроскопия, Vol: 104, No: 4 , published: 25 April 2008
Внутренняя динамика димеров (H[2]O)[2] и (D[2]O)[2]. ~I~I~I. Описание с учетом инверсионного, обменного и бифуркационного движений
Буренин А.В.
Оптика и спектроскопия, Vol: 104, No: 4 , published: 25 April 2008
Ab initio study of structure and stability of M[2]Al[2] (M=Cu, Ag, and Au) clusters
Liu FengLi\Zhao YongFang\Li XinYing\Hao FengYou
Austral. J. Chem., Vol: 60, No: 3 , published: 24 April 2008
Computing the 1H NMR spectrum of a bulk ionic liquid from snapshots of car-parrinello molecular dynamics simulations
Bagno Alessandro\D'Amico Fabio\Saielli Giacomo
ChemPhysChem., Vol: 8, No: 6 , published: 22 April 2008
Nanometer scale carbon structures for charge-transfer systems and photovoltaic applications
Guldi Dirk M.
Phys. Chem. Chem. Phys., Vol: 9, No: 12 , published: 22 April 2008
Approaching actinide(+III) hydration from first principles
Wiebke J.\Moritz A.\Cao X.\Dolg M.
Phys. Chem. Chem. Phys., Vol: 9, No: 4 , published: 21 April 2008
Структурная организация жидких низкомолекулярных эпоксидных олигомеров
Киселев М.Р.\Бардышев И.И.
Ж. физ. химии, Vol: 81, No: 2 , published: 21 April 2008
Адиабатическая ионизация кластеров воды. Неэмпирическая динамическая модель
Новаковская Ю.В.
Ж. физ. химии, Vol: 81, No: 2 , published: 21 April 2008
Probing chiral interfaces by infrared spectroscopic mehtods
Bieri Marco\Gautier Cyrille\Burgi Thomas
Phys. Chem. Chem. Phys., Vol: 9, No: 6 , published: 11 April 2008
Stabilisation energy of C6H6··· C6X6 (X=F, Cl, Br, I, CN) complexes: complete basis set limit calculations at MP2 and CCSD(T) levels
Pluhackova Kristyna\Jurecka Petr\Hobza Pavel
Phys. Chem. Chem. Phys., Vol: 9, No: 6 , published: 11 April 2008
Импульсный дефотолиз в эмульсионных нанокристаллах галогенидов серебра. ~I. Рекомбинационные процессы на ранних стадиях фотолиза
Михайлов В.Н.\Стаселько Д.И.
Оптика и спектроскопия, Vol: 102, No: 6 , published: 11 April 2008
Исследование колебательных состояний нанокристаллического углерода методом спектроскопии диффузного отражения
Бехтерев А.Н.\Золотарев В.М.
Оптика и спектроскопия, Vol: 102, No: 6 , published: 11 April 2008
Кластеры и фазовые переходы
Смирнов Б.М.
Успехи физ. наук, Vol: 177, No: 4 , published: 11 April 2008
Кластерная температура. Методы ее измерения и стабилизации
Макаров Г.Н.
Успехи физ. наук, Vol: 178, No: 4 , published: 11 April 2008
Helices and sheets in vacuo
Jarrold Martin F.
Phys. Chem. Chem. Phys., Vol: 9, No: 14 , published: 10 April 2008
Long range nonadiabatic couplings and the cluster-size dependence of the lifetime of excited hydrated electrons
Fischer S.F.\Dietz W.
Z. phys. Chem., Vol: 221, No: 5 , published: 10 April 2008
Photodetachment photoelectron spectroscopy of the weakly bound OClO{_-}~xH[2]O complex
Tschurl M.\Boesl U.
Z. phys. Chem., Vol: 221, No: 5 , published: 10 April 2008
Van der Waals bonding to a molecule with _p-electron conjugation: styrene-argon complex studied by mass selective high resolution R2PI UV spectroscopy and ab-initio calculations
Chervenkov S.\Wang P.\Chakraborty T.\Neusser H.J.
Z. phys. Chem., Vol: 221, No: 5 , published: 10 April 2008
Mechanistic studies on the nucleation of zinc sulphide nanoparticles by means of XAFS spectroscopy
Krishnan Venkata/Camozzo Daniele/Armelao Lidia/et al.
Z. phys. Chem., Vol: 222, No: 4 , published: 10 April 2008
Ионизация натрия в кластерах воды
Воронцов А.В.\Новаковская Ю.В.
Ж. физ. химии, Vol: 81, No: 5 , published: 01 April 2008
Micro-hydration of the MgNO3+ cation in the gas phase
Jagoda-Cwiklik Barbara\Jungwirth Pavel\Rulisek Lubomirth\et al.
ChemPhysChem., Vol: 8, No: 11 , published: 01 April 2008
Водородная связь в димерах FH...FM (M=Li, Na, K): неэмпирические расчеты
Миняев Р.М.\Гетманский И.В.\Стариков А.Г.
Ж. физ. химии, Vol: 81, No: 7 , published: 01 April 2008
Моделирование нанокластеров кристаллических модификаций диоксида титана методом молекулярной динамики
Филюков Д.В.\Бродская Е.Н.\Пиотровская Е.М.\Де Леу С.В.
Ж. общ. химии, Vol: 77, No: 1 , published: 01 April 2008
Межмолекулярные взаимодействия 1-винил-1,2,4-триазола в различных растворителях
Ермакова Т.Г.\Кузнецова Н.П.\Татарова Л.А.\Лопырев В.А.
Ж. общ. химии, Vol: 77, No: 1 , published: 01 April 2008
Фотоника димеров цианиновых красителей
Чибисов А.К.
Химия высок. энергий, Vol: 41, No: 3 , published: 01 April 2008
Energetics and structure of the initial stages of nucleation of (SiO2)N species: possible routes to highly symmetrical tetrahedral clusters
Brombley Stefan T.\Illas Francesc
Phys. Chem. Chem. Phys., Vol: 9, No: 9 , published: 01 April 2008
Hydration and stability of nucleic acid bases and base pairs
Kabelac Martin\Hobza Pavel
Phys. Chem. Chem. Phys., Vol: 9, No: 8 , published: 01 April 2008
Caclulation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods
Hill J. Grant\Platts James A.\Werner Hans-Joachim
Phys. Chem. Chem. Phys., Vol: 8, No: 35 , published: 01 April 2008
Молекулярно-динамический расчет спектров поглощения ИК-излучения молекулярными кластерами
Новрузова О.А.\Новрузов А.Н.\Разманова О.Р.\Галашев А.Е.
Хим. физ., Vol: 26, No: 7 , published: 31 March 2008
Structures and infrared spectra of fluoride_-hydrogen sulfide clusters from ab initio calculations: F{_-}-(H[2]S)[n], n=1_-5
Wild D.A.\Lenzer T.
Phys. Chem. Chem. Phys., Vol: 7, No: 22 , published: 31 March 2008
Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters
Sobolewski Andrzej L.\Domcke Wolfgang
Phys. Chem. Chem. Phys., Vol: 9, No: 29 , published: 28 March 2008
Endohedral clustefullerenes - playing with cluster and cage sizes
Dunsch Lothar\Yang Sahngfeng
Phys. Chem. Chem. Phys., Vol: 9, No: 24 , published: 28 March 2008
Рентгеноспектральная диагностика ультракороткого лазерно-кластерного взаимодействия на этапе неадиабатического разлета кластеров
Фаенов А.Я.\Магунов А.И.\Пикуз Т.А.\и др.
Письма в ЖЭТФ, Vol: 86, No: 3-4 , published: 20 March 2008
Band contour in Raman spectra of mehane and its gaseous mixtures with Kr and Ar
Kuyliev B.T.\Orlova N.D.\Pozdnyakova L.A.\et al.
Укр. фiз. ж., Vol: 52, No: 5 , published: 20 March 2008
Semi-empirical molecular orbital methods including dispersion corrections for the accurate prediction of the full range of intermolecular interactions in biomolecules
McNamara Jonathan P.\Hillier Ian H.
Phys. Chem. Chem. Phys., Vol: 9, No: 19 , published: 20 March 2008
Устойчивость молекулярной формы HCl в парах воды. Компьютерное моделирование
Шевкунов С.В.
Ж. общ. химии, Vol: 78, No: 3 , published: 17 March 2008
Внутренняя динамика димеров (H[2]O)[2] и (D[2]O)[2]. I. Классификация стационарных состояний при учете инверсионного и обменного движений
Буренин А.В.
Оптика и спектроскопия, Vol: 104, No: 3 , published: 16 March 2008
Impact-parameter dependence of the energy loss of fast molecular clusters in hydrogen
R. C. Fadanelli, P. L. Grande, and G. Schiwietz
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 3 , published: 12 March 2008
Electron microscopy study and computer-based analysis of their numerical characteristics
Bolesta I.M./Hrytskiv R.I./Datsiuk Yu.R./Pavlishenko B.M.
Укр. фiз. ж., Vol: 53, No: 3 , published: 02 March 2008
Electron-vibration approximation method for hydrogen isotope compounds Al[2]O[3] X (X=H, D, T)
Chen Xiao-Hong\Wang Ling\Zhu Zheng-He\Luo Shun-Zhong
Acta phys. sin., Vol: 56, No: 8 , published: 01 March 2008
First principles study of lowest energy structures and electronic properties of Ge[n]B (n=12_-19) clusters
Jing Qun\Zhang Jun\Wang Qing-Lin\Luo You-Hua
Acta phys. sin., Vol: 56, No: 8 , published: 01 March 2008
Structures and magnetism of small B[n]Ni (n _< 5) clusters
Lei Xue-Ling\Wang Qing-Lin\Yan Yu-Li\et al.
Acta phys. sin., Vol: 56, No: 8 , published: 01 March 2008
Mass spectrum of laser ionized diethyl ether clusters studied with ab initio calculation
Wang Yan\Zhang Shu-Dong\Zhu Xiang-Jun\Kong Xiang-He
Acta phys. sin., Vol: 56, No: 8 , published: 01 March 2008
Formation of large molecular cluster anions and elucidation of their electronic structures
Mitsui Masaaki\Nakajima Atsushi
Bull. Chem. Soc. Jpn., Vol: 80, No: 6 , published: 01 March 2008
The absorption spectrum of anisole and the anisole/CO[2] 1:1-cluster. The influence of intermolecular interaction on intramolecular vibrations
Gemechu A.S.\Hoffmann L.J.H.\Varquardt S.\et al.
Z. phys. Chem., Vol: 218, No: 1 , published: 09 February 2008
Study on the (H~I)[m](H[2]O)[n] clusters by photofragment translational spectroscopy and ab-initio calculation
Bi Weibin\Xu Xiling\Huang Jiangou\et al.
Z. phys. Chem., Vol: 221, No: 6 , published: 09 February 2008
Theoretical studies of structural, energetic, and electronic properties of clusters
Springborg Michael/Dong Yi/Grigoryan Valeri G./et al.
Z. phys. Chem., Vol: 222, No: 2-3 , published: 06 February 2008
Study of the functional form of intermolecular potential on the basis of self-diffusion of liquid molecules
Bardik V.Yu.\Shakun K.S.
Укр. фiз. ж., Vol: 50, No: 7 , published: 04 February 2008
The structures and electronic states of zinc-water clusters ZnnH2O)m (n=1-32 and m=1-3)
Tachikawa Hiroto\Iokibe Kei\Azumi Kazuhisa\Kawabata Hiroshi
Phys. Chem. Chem. Phys., Vol: 9, No: 30 , published: 03 February 2008
Assembly of hexamolybdenum metallic clusters on silicon surfaces
Ababou-Girard S.\Cordier S.\Fabre B.\et al.
ChemPhysChem., Vol: 8, No: 14 , published: 03 February 2008
Endohedral stannaspherenes Mn@Sn12 and its dimer: ferromagnetic or antiferromagnetic?
Matxain Jon M.\Piris Mario\Formoso Elena\et al.
ChemPhysChem., Vol: 8, No: 14 , published: 03 February 2008
C-H stretching vibrational shift of benzene dimer: consistency of experiment and calculation
Wang Weizhou\Pito~3n~1ak Michal\Hobza Pavel
ChemPhysChem., Vol: 8, No: 14 , published: 03 February 2008
Ассоциация молекул в смеси диметилсульфоксид_-нитрометан по данным спектроскопии комбинационного рассеяния света и квантово-химических расчетов
Краузе А.С.\Хатмуллина М.Т.\Рабчук Л.В.
Ж. физ. химии, Vol: 81, No: 8 , published: 02 February 2008
Теоретическое исследование строения димеров (O_!Si)-(ацетоксиметил)трифторсилана
Чипанина Н.Н.\Аксаментова Т.Н.\Воронков М.Г.\Турчанинов В.К.
Ж. структур. химии, Vol: 47, No: 6 , published: 28 January 2008
Study on the structure and stability of the Al[2]O[3]H[x] (x=1_-3) molecules by density function theory
Chen Xiao-Hong\Gao Tao\Zhu Zheng-He\Luo Shun-Zhong
Acta phys. sin., Vol: 56, No: 1 , published: 27 January 2008
Исследование оксофторотитанатов (NH4)3TiOF5 и Rb2KTiOF5 методоми колебательной спектроскопии и квантовой химии
Войт Е.И./Давыдов В.А./Машковский А.А./Войт А.В.
Ж. структур. химии, Vol: 49, No: 1 , published: 26 January 2008
Электронная структура и физико-химические свойства кластеров s-элементов
Шпак А.П./Засуха В.А./Трачевский В.В./Урубкова Е.В.
Ж. структур. химии, Vol: 49, No: 1 , published: 26 January 2008
Распределение кулоновского микрополя внутри ионного кластера
Майоров С.А./Щербаков А.А.
Кpатк. сообщ. по физ. ФИAН, Vol: 2008, No: 1 , published: 24 January 2008
ИК спектры кластеров воды, захвативших молекулы этана. Компьютерный эксперимент
Галашев А.Е./Новрузов А.Н.
Ж. общ. химии, Vol: 78, No: 1 , published: 21 January 2008
Компьютерное изучение адсорбции ацетилена дисперсной водной средой. ИК спектры
Новрузов А.Н./Рахманова О.Р./Новрузова О.А./Галашев А.Е.
Ж. общ. химии, Vol: 78, No: 1 , published: 21 January 2008
Structure, stability, and magnetism of ScnAl (n=1–8,12) clusters: Density-functional theory investigations
Fu-Yang Tian, Qun Jing, and Yuan-Xu Wang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 18 January 2008
Теоретический анализ колебательных спектров таутомерных форм пурина
Элькин П.М./Пулин О.В./Джамухамбетова Е.А.
Ж. прикл. спектроскопии, Vol: 75, No: 1 , published: 17 January 2008
Антисимметрия и стабильность водных систем. ~I. Плоские циклические кластеры
Киров М.В.
Ж. структур. химии, Vol: 48, No: 1 , published: 14 January 2008
Исследование процесса формирования нанометровых частиц Ru(~I~I~I)
Троицкий С.Ю.\Федотов М.А.\Кочубей Д.И.\и др.
Ж. структур. химии, Vol: 48, No: 1 , published: 14 January 2008
Роль релятивистских эффектов в электронном строении и химической связи гексацианоферрата свинца
Рыжков М.В.\Денисова Т.А.
Ж. структур. химии, Vol: 48, No: 1 , published: 14 January 2008
Ordered 2-D and 3-D nanostructured amphiphile self-assembly materials stable in excess solvent
Kaasgaard Thomas\Drummond Calum J.
Phys. Chem. Chem. Phys., Vol: 8, No: 43 , published: 13 January 2008
Water soluble quantum dot nanoclusters: energy migration in artifical materials
Oh Megan H.J.\Gentleman Darcy J.\Scholes Gregory D.
Phys. Chem. Chem. Phys., Vol: 8, No: 43 , published: 13 January 2008
Platinum covering of gold nanoparticles for utilization enhancement of Pt in electrocatalysts
Zhao Dan\Xu Bo-Qing
Phys. Chem. Chem. Phys., Vol: 8, No: 43 , published: 13 January 2008
Structure, stability, dipole polarizability and differential polarizability in small gallium arsenide clusters from all-electron ab initio and density-functional-theory calculations
Panaghiotis Karamanis, Claude Pouchan, and George Maroulis
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 1 , published: 08 January 2008
Структура кластеров воды при их взаимодействии с газообразным ацетиленом
Новрузов А.Н./Разманова О.Р./Новрузова О.А./Галашев А.Е.
Хим. физ., Vol: 27, No: 1 , published: 08 January 2008
Формирование кластерных пучков при газодинамическом охлаждении молекул CF[2]HCl и измерение их характеристик
Лохман В.Н.\Огурок Д.Д.\Рябов Е.А.
Ж. техн. физ., Vol: 75, No: 7 , published: 03 January 2008
Application of a new theoretical procedure for calculating Kirkwood correlation factors in alkanol + hexane and alkanol + pentane mixtures
Vasiltsova Tatiana/Heintz Andreas
Phys. Chem. Chem. Phys., Vol: 9, No: 47 , published: 30 December 2007
Кластерная структура жидких спиртов, воды и н-гексана
Зубова К.В.\Зубов А.В.\Зубов В.А.
Ж. прикл. спектроскопии, Vol: 72, No: 3 , published: 28 December 2007
Неэмпирическая оценка условий ионизации воды и аморфного льда
Новаковская Ю.В.\Степанов Н.Ф.
Ж. физ. химии, Vol: 81, No: 6 , published: 23 December 2007
Fluorescence spectrum characteristic of ethanol_-water excimer and mechanism of resonance energy transfer
Liu Ying\Song Chun-Yuan\Luo Xiao-Sen\et al.
Chin. Phys., Vol: 16, No: 5 , published: 10 December 2007
Возможность образования гетерогенных кластеров в газовых смесях
Артюхин А.С.
Хим. физ., Vol: 25, No: 11 , published: 10 December 2007
J-Агрегация этилмезозамещенных карбоцианиновых красителей в полимерных пленках
Захарова Г.В.\Комбаев А.Р.\Чибисов А.К.
Химия высок. энергий, Vol: 38, No: 3 , published: 01 December 2007
Theoretical studies of chemical reactions _- a fascinating world of chemistry from gas-phase elementary reactions through nanostructure formation and homogeneous catalysis to reactions of metalloenzymes
Morokuma K.
Bull. Chem. Soc. Jpn., Vol: 80, No: 12 , published: 23 November 2007
Biologically potent new organotin(IV) complexes on N-maleoyltranexamic acid
Khan M.I./Baloch M.K./Ashfaq M./Maqlik A.
Bull. Chem. Soc. Jpn., Vol: 80, No: 7 , published: 23 November 2007
Сравнительный квантовохимический анализ электронной структуры валентных областей кластерных моделей активных центров цитохромов f и c
Романова Т.А.\Краснов П.О.\Кузубов А.А.\Аврамов П.В.
Ж. структур. химии, Vol: 45, No: 2 , published: 19 November 2007
Комбинационное рассеяние света димерами (N[2])[2] и (O[2])[2]
Булдаков М.А.\Черепанов В.Н.
Оптика атмосферы и океана, Vol: 17, No: 4 , published: 19 November 2007
Кинетическое описание кулоновского взрыва сферически-симметричного кластера
Ковалев В.Ф.\Быченков В.Ю.
Ж. эксперим. и теор. физ., Vol: 128, No: 2 , published: 18 November 2007
Модель DLA в континуальном среднеполевом приближении
Рябов А.Б.\Постников Е.Б.\Лоскутов А.Ю.
Ж. эксперим. и теор. физ., Vol: 128, No: 2 , published: 18 November 2007
Анизотропия магнитных свойств кластеров никеля
Никитчук С.А.\Лоханин М.В.\Проказников А.В.\и др.
Письма в ЖТФ, Vol: 31, No: 12 , published: 18 November 2007
Формирование кластерных пучков фреона 22 и измерение их характеристик
Лохман В.Н.\Рябов Е.А.\Огурок Д.Д.
Письма в ЖТФ, Vol: 30, No: 8 , published: 18 November 2007
Influence of cluster size on the structures and stability of trimetallic nitride fullerenes M3N@C80
Gan Li-Hua\Yuan Ruo
ChemPhysChem., Vol: 7, No: 6 , published: 18 November 2007
Acid/base equilibria in clusters and their role in proton exchange membranes: computational insight
Glezakou Vassiliki-Alexandra/Dupuis Michel/Mundy Christopher J.
Phys. Chem. Chem. Phys., Vol: 9, No: 43 , published: 16 November 2007
Structures, energetics, and infrared spectra of the Cl--(H2S)n and Br--(H2S)n anion clusters from ab initio calculations
Wild D.A./Lenzer T.
Phys. Chem. Chem. Phys., Vol: 9, No: 43 , published: 16 November 2007
Understanding clusters toward the design of functional molecules and nanomaterials
Singh N. Jiten/Lee Eun Cheol/Choi Young Cheol/et al.
Bull. Chem. Soc. Jpn., Vol: 80, No: 8 , published: 16 November 2007
Basis set and electron correlation effects on lithium carbenoid dimerization energies
Pratt Lawrence M./Phan Diep Huong Tran/Tran Phuong Taho Thi/Nguyen Ngan Van
Bull. Chem. Soc. Jpn., Vol: 80, No: 8 , published: 16 November 2007
Неэмпирические расчеты молекулярных агрегатов муравьиной кислоты и их спектры комбинационного рассеяния
Тухватуллин Ф.Х.\Ташкенбаев У.Н.\Жумабаев А.\и др.
Хим. физ., Vol: 25, No: 1 , published: 06 November 2007
Структурные свойства концентрированных водных растворов иодида лития при высоких температурах и давлениях по данным метода интегральных уравнений
Федотова М.В.\Тростин В.Н.
Ж. физ. химии, Vol: 79, No: 9 , published: 03 November 2007
Поглощение и рассеяние инфракрасного излучения атмосферными кластерами воды
Галашев А.Е.\Рахманова О.Р.\Чуканов В.Н.
Ж. физ. химии, Vol: 79, No: 9 , published: 03 November 2007
Исследование стеклования аргона методом молекулярной динамики
Сандитов Д.С.\Цыдыпов Ш.Б.\Парфенов А.Н.
Ж. физ. химии, Vol: 79, No: 9 , published: 03 November 2007
Устойчивость и структура кластеров (N2)j(H2O)i и (Ar)j(H2O)i
Новрузова О.А.\Рахманова О.Р.\Галашев А.Е.
Ж. физ. химии, Vol: 81, No: 11 , published: 01 November 2007
The effect of cooperative hydrogen bonding on the OH stretching-band shift for water clusters studied by matrix-isolation infrared spectroscopy and density functional theory
Ohno Keiichi\Okimura Mari\Akai Nobuyuki\Katsumoto Yukiteru
Phys. Chem. Chem. Phys., Vol: 7, No: 16 , published: 30 October 2007
IR-UV double resonance spectroscopy of guanine_-H[W]O clusters
Crews Bridgit\Abo-Riziq Ali\Grace Louis\et al.
Phys. Chem. Chem. Phys., Vol: 7, No: 16 , published: 30 October 2007
Компьютерное изучение физических свойств кластеров воды. 1. Устойчивость
Галашев А.Е.\Рахманова О.Р.
Ж. структур. химии, Vol: 46, No: 4 , published: 29 October 2007
Кристаллическая структура _(Mn{~I~I}(1,10-C[12]H[8]N[2])[3]_){2+}_((B[9]C[2]H[11])Co{~I~I~I}(B[8]C[2]H[10])Co{~I~I~I}(B[9]C[2]H[11])_){2_-}~xCH[3]CN
Полянская Т.М.\Волков В.В.\Дроздова М.К.
Ж. структур. химии, Vol: 46, No: 4 , published: 29 October 2007
Potential energy surface for cyclotrimethylene trinitramine dimer from symmetry-adapted perturbation theory
Podeszwa Ramal/Bukowski Robert/Rice Betsy/Szalewicz Krzysztof
Phys. Chem. Chem. Phys., Vol: 9, No: 41 , published: 22 October 2007
Infrared spectra of the Cl{_-}_-C[2]H[4] and Br{_-}_-C[2]H[4] anion dimers
Wilson R.L.\Loh Z.M.\Wild D.A.\et al.
Phys. Chem. Chem. Phys., Vol: 7, No: 19 , published: 17 October 2007
Димер CO_-CO как нежесткая молекулярная система
Буренин А.В.
Оптика и спектроскопия, Vol: 95, No: 2 , published: 15 October 2007
Влияние СВЧ-излучения на процессы ассоциации молекул родамина 6Ж в водных растворах
Домнина Н.А.\Королев А.Ф.\Потапов А.В.\Салецкий А.М.
Ж. прикл. спектроскопии, Vol: 72, No: 1 , published: 12 October 2007
Молекулярно-динамический расчет спектральных характеристик и диэлектрических свойств кластеров воды
Галашев А.Е.\Рахманова О.Р.\Чуканов В.Н.
Хим. физ., Vol: 24, No: 3 , published: 12 October 2007
DFT study on the structure and spectra of Ga[5]P[5] cluster
Zhang Cai-Rong/Chen Hong-Shan/Song Yan/Xu Guang-Ji
Chin. Phys., Vol: 16, No: 8 , published: 12 October 2007
Vibrational structure of endohedral fullerene Sc3N@C78 (D3h): evidence for a strong coupling between the Sc3N cluster and C78 cage
Krause Matthias\Popov Alexey\Dunsch Lothar
ChemPhysChem., Vol: 7, No: 8 , published: 09 October 2007
Study of structure and stability of Ga[n]N[m]{_-} anions
Li En-Ling\Wang Xue-Wen\Chen Gui-Can\et al.
Acta phys. sin., Vol: 55, No: 5 , published: 03 October 2007
Water clusters in crystal: beyond the "hydrogen-bonding graphs"
Lyssenko K.A.\Nelyubina Y.V.\Kostyanovsky R.G.\Antipin M.Y.
ChemPhysChem., Vol: 7, No: 12 , published: 03 October 2007
Метастабiльнi квазiмолекули у збуджених газах
Мальнев В.М.\Наришкiн Р.О.
Укр. фiз. ж., Vol: 50, No: 4 , published: 01 October 2007
Investigations of the steepness of a repulsive potential in accordance with the equation of state and light-scattering spectra
Bardik V.Yu.\Shakun K.S.
Укр. фiз. ж., Vol: 50, No: 4 , published: 01 October 2007
Lineshapes in carbon 1s photoelectron spectra of methanol clusters
Abu-samha M.\Borve K.J.\Sathre L.J.\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 21 , published: 23 September 2007
Кластерная модель комплексных соединений шестивалентного урана
Зажогин А.П.\Комяк А.И.\Умрейко Д.С.
Ж. прикл. спектроскопии, Vol: 73, No: 5 , published: 14 September 2007
Hydration profiles of aromatic amino acids: conformations and vibrations of L-phenylalanine-(H2O)n clusters
Ebata Takayuki\Hashimoto Takayo\Ito Takafumi\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 41 , published: 14 September 2007
Noncovalent complexes between dimethyl ether and formic acid _- an ab initio matrix isolation study
S~1anchez-Garc~1ia E.\Studentkowski M.\Montero L.A.\Sander W.
ChemPhysChem., Vol: 6, No: 4 , published: 10 September 2007
Структура водных растворов электролитов по данным дифракции рентгеновских лучей
Хрипун М.К.\Костиков Ю.П.\Киселев А.А.\Пестова О.Н.
Ж. общ. химии, Vol: 74, No: 2 , published: 05 September 2007
Комбинаторная оптимизация структуры полиэдрических кластеров воды на базе дискретных моделей межмолекулярного взаимодействия
Киров М.В.
Ж. структур. химии, Vol: 46, No: прил. , published: 03 September 2007
Моделирование гидролиза бензосульфохлорида. Влияние размеров и структурной упорядоченности водных кластеров на термодинамические и активационные параметры процесса
Иванов С.Н.\Кислов В.В.\Гнедин Б.Г.
Ж. общ. химии, Vol: 74, No: 1 , published: 03 September 2007
Supersonic jet studies of solvation effects on the spectroscopy and photophysics of 4-diethylaminopyridine
Szydmolwska Izabela\Nosenko Yevgeniy\Brutschy Bernhard\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 36 , published: 03 September 2007
Benchmark RI-MP2 database of nucleic acid base trimers: performance of different density functional models for prediction of structures and binding energies
Kabelac Martin\Valdes Haydee\Sherer Edward C.\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 36 , published: 03 September 2007
Стабилизация плоских тетракоординированных атомов бора, углерода и кремния в бороводородных кластерах: квантовохимическое исследование
Грибанова Т.Н.\Миняев Р.М.\Минкин В.И.
Ж. общ. химии, Vol: 75, No: 10 , published: 31 August 2007
Структура валентной области кластерной модели активных центров цитохром-с-оксидазы
Романова Т.А.\Аврамов П.В.
Ж. структур. химии, Vol: 46, No: 2 , published: 28 August 2007
Isomeric transitions in size-selected methanol hexamers probed by OH-stretch spectroscopy
Steinbach C.\Farnik M.\Ettischer I.\Siebers J.\Buck U.
Phys. Chem. Chem. Phys., Vol: 8, No: 23 , published: 28 August 2007
A fast correlated electronic structure method for computing interaction energies of large van der Waals complexes applied to the fullerene-porphyrin dimer
Jung Yousung\Head-Gordon Martin
Phys. Chem. Chem. Phys., Vol: 8, No: 24 , published: 28 August 2007
Molecular structure of AlH[n] (n=1_-3) and thermodynamic stability of AlH[3]
Sheng Xiao-Hong\Zhu Zheng-He\Gao Tao\Luo Shun-Zhong
Acta phys. sin., Vol: 55, No: 7 , published: 15 August 2007
Структура ядро_-оболочка в фуллеренсодержащих молекулярных комплексах
Резников В.А.
Ж. техн. физ., Vol: 73, No: 9 , published: 14 August 2007
Критические индексы с учетом динамического скейлинга для адсорбции на малых одномерных кластерах
Таскин А.Н.\Удодов В.Н.\Потекаев А.И.
Изв. вузов. Физ., Vol: 48, No: 8 , published: 12 August 2007
Строение и энергетическая стабильность димерных молекул тригалогенидов лантана и лютеция
Соломоник В.Г.\Смирнов А.Н.
Ж. структур. химии, Vol: 46, No: 6 , published: 10 August 2007
Structure, energy and IR spectra of K-nNH[3] cluster: a theoretical study
Pathak A.K./Mukherjee T./Maity D.K.
Indian J. Phys., Vol: 81, No: 9 , published: 08 August 2007
A peptide co-solvent under scrutiny: self-aggregation of 2,2,2-trifluoriethanol
Scharge Tina\Cezard Christine\Zielke Philipp\et al.
Phys. Chem. Chem. Phys., Vol: 9, No: 32 , published: 03 August 2007
Raman jet spectroscopy of formic acid dimers: low frequency vibrational dynamics and beyond
Zielke P.\Suhm M.A.
Phys. Chem. Chem. Phys., Vol: 9, No: 32 , published: 03 August 2007
Спектроскопическое изучение взаимодействия полиметиновых красителей с коллагенами
Татиколов А.С.\Панова И.Г.
Химия высок. энергий, Vol: 39, No: 4 , published: 30 July 2007
Исследование препика структурного фактора. Анализ неоднородных упаковок леннард-джонсовских атомов
Волошин В.П.\Медведев Н.Н.
Ж. структур. химии, Vol: 46, No: 1 , published: 19 July 2007
Образование смешанных Fe_-Mo-оксокластеров в газовой фазе
Гончаров В.Б.
Ж. физ. химии, Vol: 80, No: 2 , published: 19 July 2007
Возможные превращения молекулы озона в присутствии ассоциатов воды
Рябинкин И.Г.\Новаковская Ю.В.\Степанов Н.Ф.
Ж. физ. химии, Vol: 80, No: 1 , published: 17 July 2007
Моделирование свойств и структуры мицелл гексадецилтриметиламмоний хлорида различной формы в водно-солевых растворах методом Монте-Карло
Буров С.В.\Пиотровская Е.М.
Ж. физ. химии, Vol: 80, No: 8 , published: 12 July 2007
Эмиссия кластерных ионов кристаллами галогенидов щелочных металлов в условиях свободной и равновесной сублимации
Бутман М.Ф.\Кудин Л.С.\Бурдуковская Г.Г.
Изв. вузов. Химия и хим. технол., Vol: 49, No: 5 , published: 11 July 2007
О температурной зависимости интенсивности индуцированного поглощения кислорода в области фотодиссоционного континуума Герцберга в бинарных смесях кислорода с аргоном и азотом
Зеликина Г.Я.\Киселева М.Б.\Бутурлимова М.В.
Оптика и спектроскопия, Vol: 101, No: 2 , published: 08 July 2007
Комплексообразование и лигандный обмен в водных и водно-этанольных растворах меди(~I~I) и никеля(~I~I) с гидразидами некоторых ароматических кислот
Афанасьева Г.В.\Бычкова Т.И.\Штырлин В.Г.\и др.
Ж. общ. химии, Vol: 76, No: 3 , published: 08 July 2007
Абсолютные сечения прилипания электронов к молекулярным кластерам. ~I. Образование (CO[2])[N]{_-}
Востриков А.А.\Дубов Д.Ю.
Ж. техн. физ., Vol: 76, No: 5 , published: 06 July 2007
Mechanical properties of carbon nanomaterials
Hayashi T.\Kim Y.A.\Natsuki T.\Endo M.
ChemPhysChem., Vol: 8, No: 7 , published: 03 July 2007
Проблема высокотемпературных мономолекулярных магнитов _- новые подходы
Миронов В.С.
Докл. РАН, Vol: 408, No: 3 , published: 01 July 2007
Structures and electronic properties of Au[n_-1]Cu and An[n] (n _< 9) clusters
Wang Hong-Yan\Li Xi-Bo\Tang Yong-Jian\et al.
Chin. Phys., Vol: 16, No: 6 , published: 01 June 2007
Structural and thermal characterization of cyclodextrin_-suprofen complexes
Dean Pamela M.
Austral. J. Chem., Vol: 60, No: 2 , published: 04 February 2007
Строение и динамические свойства замещенных производных карбонилгидридных кластеров H[2]RuOs[3](CO)[13] и H[4]Ru[4](CO)[12], содержащих функционализированные фосфины
Андреев И.А.\Грачева Е.В.\Туник С.П.\и др.
Изв. РАН. Сер. хим., Vol: 2007, No: 7 , published: 01 January 2007
Нормальные колебания малого пылевого кластера. Куб и квадратная антипризма
Гусейн-заде Н.Г./Игнатов А.М.
Прикл. физ., Vol: 2006, No: 4 , published: 26 November 2006
A global search of highly stable gold-covered bimetallic clusters M@Aun (n=8-17): endohedral gold clusters
Gao Yi\Bulusu Satya\Zeng Xiao Cheng
ChemPhysChem., Vol: 7, No: 11 , published: 04 November 2006
Coinage metal halide clusters: from two-dimensional ring to three-dimensional solid-state-like structures
Krawczyk Robert P.\Hammerl Anton\Schwerdtfeger Peter
ChemPhysChem., Vol: 7, No: 11 , published: 04 November 2006
Ion-induced biomolecular radiation damage: from isolated nucleobases to nucleobase clusters
Schlatholter Thomas\Alvarado Fresia\Bari Sadia\et al.
ChemPhysChem., Vol: 7, No: 11 , published: 04 November 2006
Quantitative chirality synchronization in trifluoroethanol dimers
Scharge Tina\Haber Thomas\Suhm Martin A.
Phys. Chem. Chem. Phys., Vol: 8, No: 40 , published: 04 October 2006
Attenuation of ultraintense laser radiation in an assembly of molecular clusters
Isidore Last and Joshua Jortner
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 6 , published: 07 June 2006
Controlled shock shells and intracluster fusion reactions in the explosion of large clusters
F. Peano, R. A. Fonseca, J. L. Martins, and L. O. Silva
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 5 , published: 17 May 2006
Contribution of nuclear displacements to the static polarizability of molecules in an external electric field: Application to fluorinated fullerenes C60Fn
K. Zagorodniy, M. Taut, and H. Hermann
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 5 , published: 04 May 2006
Полиядерные комплексы палладия и катализ
Моисеев И.И.\Варгафтик М.Н.
Рос. хим. ж., Vol: 50, No: 4 , published: 04 April 2006
Observation of modulations in Lyman-alpha line profiles of multicharged ions in clusters irradiated by femtosecond laser pulses: Effect of a dynamic electric field
V. P. Gavrilenko, A. Ya. Faenov, A. I. Magunov, T. A. Pikuz, I. Yu. Skobelev, K. Y. Kim, and H. M. Milchberg
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 73, No: 1 , published: 10 January 2006
Особенности изменения структурно-термодинамических свойств в гомологическом ряду жидких н-алканов в рамках кластерно-континуального приближения
Демидов В.Н.\Пузенко В.Г.\Савинова А.И.\Зарембо В.И.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2006, No: 4 , published: 01 January 2006
Компьютерное моделирование свойств и структуры кластеров фторида бария
Терехина О.С.\Бродская Е.Н.\Пиотровская Е.М.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2006, No: 4 , published: 01 January 2006
Met-Cars: a unique class of molecular clusters
Leskiw Brian D./Castleman A. Welford, Jr.
C. R. Physique /Acad. sci., Paris, Vol: 3, No: 3 , published: 09 April 2005
Модель свободных электронов в теории строения кластеров. Электронная структура кластеров _(Mo[6]S[8](CN)[6]_){6_-}, _(Mo[6]Se[8](CN)[6]_){6_-}, _(Re[6]S[8](CN)[6]_){4_-} и Rh[6](CO)[16]
Барановский В.И.\Корольков Д.В.
Изв. РАН. Сер. хим., Vol: 2005, No: 12 , published: 01 January 2005
Методика и точность определения параметров низкочастотных спектров комбинационного рассеяния света слабых водных растворов
Крайский А.В.\Мельник Н.Н.
Кpатк. сообщ. по физ. ФИAН, Vol: 2005, No: 12 , published: 01 January 2005
Замещение атомов Fe на Ru в карбидокарбонильном кластере _(Fe[6]C(CO)[16]_){2_-}. Строение продуктов реакции
Губин С.П.\Кузьмина Л.Г.\Чураков А.В.\и др.
Изв. РАН. Сер. хим., Vol: 2005, No: 8 , published: 01 January 2005
Исследование методом импульсного радиолиза восстановления комплексов Ag{~I} с малонатионами в водном растворе
Ершов Б.Г.\Яната Э.\Гордеев А.В.
Изв. РАН. Сер. хим., Vol: 2005, No: 8 , published: 01 January 2005
Квантово-химическое исследование одиночного пакета MoS[2] как модели активного компонента катализатора гидрообессеривания. Сообщ. 1. Молекулярная и электронная структура макромолекулы Mo[12]S[24] и ее адсорбционного комплекса с H[2]S
Захаров И.И.\Старцев А.Н.
Изв. РАН. Сер. хим., Vol: 2005, No: 10 , published: 01 January 2005
Квантово-химическое исследование взаимодействия кластера Co[6] с поверхностью _g-оксида алюминия
Михайлов М.Н.\Жидомиров Г.М.\Крылова А.Ю.
Изв. РАН. Сер. хим., Vol: 2005, No: 10 , published: 01 January 2005
C 1s→π* excitation in variable size benzene clusters
Bradeanu I.L., Flesch R., Kosugi N., et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 16 , published: 01 January 2005
Shape resonances in molecular clusters: the 2t2g shape resonances in S 2p-excited sulfur hexafluoride clusters
Pavlychev A.A., Brykalova X.O., Flesch R., et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 16 , published: 01 January 2005
Classical diffusion model of vibrational predissociation of van der Waals complexen. Comparison with trajectory calculations and analytical approximations
Dashevskaya E.I., Litvin I., Nikitin E.E., Troe J.
Phys. Chem. Chem. Phys., Vol: 3, No: 12 , published: 01 January 2005
Vibrational excitation and caging following the photodissociation of small HBr clusters in and on large Ar clusters
Baumfalk Reinhard, Nahler N. Hendrik, Buck Udo
Phys. Chem. Chem. Phys., Vol: 3, No: 12 , published: 01 January 2005
Моделирование малых кластеров воды в неполярной среде н-гексана методом молекулярной динамики
Муджикова Г.В.\Бродская Е.Н.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 2004, No: 4 , published: 01 January 2004
Синтез и структура пиридоаннелированных 1,2,3,4-тетразин-1,3-диоксидов
Тартаковский В.А.\Филатов И.Е.\Чураков А.М.\и др.
Изв. РАН. Сер. хим., Vol: 2004, No: 11 , published: 01 January 2004
Неожиданное образование кластеров с нортрицикленовым фрагментом в карборановом лиганде 1-(_h{6}-arene)-3-(C[7]H[9]CH[2]O)-isonido-1,2,4-RuC[2]B[8]H[9] при взаимодействии 1,1,3-(PPh[3])[3]-1H-1,2,4-RuC[2]B[8]H[9] с 2-(гидроксиметил)норборнадиеном в ареновых растворителях
Коноплев В.Е.\Долгушин Ф.М.\Писарева И.В.\и др.
Изв. РАН. Сер. хим., Vol: 2003, No: 12 , published: 01 January 2003
Строение больших кластеров переходных металлов
Белякова О.А.\Словохотов Ю.Л.
Изв. РАН. Сер. хим., Vol: 2003, No: 11 , published: 01 January 2003
К вопросу о моделировании микроструктуры водных растворов электролитов методом молекулярной динамики
Егоров А.В., Комолкин А.В., Чижик В.И.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 1999, No: 3 , published: 01 January 1999
Присоединение азида дифенилфосфиновой кислоты к [60]фуллерену
Романова И.П., Синяшин О.Г., Юсупова Г.Г. и др.
Изв. РАН. Сер. хим., Vol: 1999, No: 11 , published: 01 January 1999
Исследование аллильной перегруппировки в кластерах (μ-H)Os[3](μ-O=CNRCH[2]CH=CH[2])(CO)[10]
Максаков В.А., Кирин В.П., Ткачев С.В., Головин А.В.
Изв. РАН. Сер. хим., Vol: 1999, No: 11 , published: 01 January 1999
Октаэдрический кластер родия [Rh[6]Cp[6](μ[6]-C)]{2+}(PF[6]{-})[2]
Кудинов А.Р., Муратов Д.В., Рыбинская М.И.
Изв. РАН. Сер. хим., Vol: 1999, No: 2 , published: 01 January 1999
Новые комплексы фуллеренов C[60] и C[70] с тетрафенилпорфиринатами Co{II} и Mn{II} и их исследование методом ЭПР
Юданова Е.И., Конарев Д.В., Гуманов Л.Л., Любовская Р.Н.
Изв. РАН. Сер. хим., Vol: 1999, No: 4 , published: 01 January 1999
Спектральные свойства комплекса C[60] с дибензолхромом
Каплунов М.Г., Голубев Е.В., Куликов А.В., Спицына Н.Г.
Изв. РАН. Сер. хим., Vol: 1999, No: 4 , published: 01 January 1999
Синтез и структура кластера Fe[2]Mo[2](μ[3]-Se)(μ[3]-AsMe)(μ[3]-CO)(μ-CO)(CO)[5](η-Cp)[2]
Конченко С.Н., Вировец А.В., Петров А.П., Ткачев С.В.
Изв. РАН. Сер. хим., Vol: 1999, No: 5 , published: 01 January 1999
Сочетание дегидробензола, CO и енина на Ru[3]-кластере. Кристаллическая структура комплекса Ru[3](CO)[6]{μ[3]-P(Ph)CH[2]PPh[2]}-{μ-C(Ph)=CHCC(Ph)(1,2-C[6]H[4])C(=O)}
Коридзе А.А., Зданович В.И., Лагунова В.Ю. и др.
Изв. РАН. Сер. хим., Vol: 1999, No: 6 , published: 01 January 1999
Influence of intermolecular interactions on multipole-refined electron densities
Spackman M.A., Byrom P.G., Alfredsson M., Hermansson K.
Acta crystallogr. A, Vol: 55, No: 1 , 1999
Molecular modeling studies on zeolite cataysts for shape-selective electrophilic substitution: I acylation of 2-methoxynaphthalene
Bharathi P., Waghmode S.B., Sivasankr S., Vetrivel R.
Bull. Chem. Soc. Jpn., Vol: 72, No: 10 , 1999
Sulfur-bridged incomplete cubane-type iminodiacetato molybdenum clusters: geometrical isomers and their isomerization
Shibahara T., Yoshida S., Maeyama M., Kojima M.
Bull. Chem. Soc. Jpn., Vol: 72, No: 10 , 1999
Characterization of CO- and H[2]-adsorbed Au[6]Pt-phosphine clusters supported on SiO[2] by EXAFS, TPD, and FTIR
Yuan Y., Asakura K., Wan H. et al.
Bull. Chem. Soc. Jpn., Vol: 72, No: 12 , 1999
External electric field effects on the water trimer
Dykstra Clifford E.
Chem. Phys. Lett., Vol: 299, No: 2 , 1999
Infrared spectra of I{-</SUP>-(C[2]H[2])[n] (1≤n≤4) anion complexes
Weiser P.S., Wild D.A., Bieske E.J.
Chem. Phys. Lett., Vol: 299, No: 3-4 , 1999
Water-chain clusters: vibronic spectra of 7-hydroxyquinolineX(H[2]O)[n], n=1-4
Bach Andreas, Leutwyler Samuel
Chem. Phys. Lett., Vol: 299, No: 5 , 1999
The intermolecular interaction between amines and F[2]. An ab initio study
Karpfen Alfred
Chem. Phys. Lett., Vol: 299, No: 5 , 1999
Delayed ionization and thermoionic emission in hot clusters and molecules
Campbell E.E.B., Levine R.D.
Comments Mod. Phys, Vol: 1, No: 4 , 1999
Molecular association studies of 1-propanol in cyclohexane with benzene
Kannappan A.N., Palaniappan L.
Indian J. Phys. A., Vol: 73, No: 3 , 1999
Formation of helium cluster ions N[2]He[n]{+}, COHe[n]{+}, and O[2]He[n]{+} (n≤13) in cooled helium gas
Tanuma Hajime, Sanderson Joseph, Kobayashi Nobuo
J. Phys. Soc. Jpn., Vol: 68, No: 8 , 1999
On the role of zinc oxide nanometric clusters in preparation of ZnNaY zeolite by ion exchange
Kazansky V.B., Borovkov V.Yu., Serykh A.I. et al.
Phys. Chem. Chem. Phys., Vol: 1, No: 11214 , 1999
Linear free-energy relationship for electron-transfer processes of pyrrolidinofullerenes with tetrakis(dimethylamino)ethylene in round and excited states
Luo Chuping, Fujitsuka Mamoru, Huang Chun-Hui, Ito Osamu
Phys. Chem. Chem. Phys., Vol: 1, No: 12 , 1999
Reliable theoretical treatment of molecular clusters: Counterpoise-corrected potential energy surface and anharmonic vibrational frequencies of the water dimer
Hobza Pavel, Bludsky Ota, Suhai Sandor
Phys. Chem. Chem. Phys., Vol: 1, No: 13 , 1999
The proton-bound rare gas compounds (RgHRg`){+} (Rg=Ar, Kr, Xe) - a computational approach
Lundell Jan, Pettersson Mika, Rasanen Markku
Phys. Chem. Chem. Phys., Vol: 1, No: 18 , 1999
Structural studies of V[2]O[5]-WO[3] and WO[3]-V[2]O[5] solid solutions
Najbar Mieczyslawa, Camra Jozef, Bialas Anna et al.
Phys. Chem. Chem. Phys., Vol: 1, No: 19 , 1999
Formation of van der Waals complexes between allene and HCl in cryosolutions. An IR and ab initio study
Everaert Gert P., Herrebout Wouter A., van der Veken Benjamin
Phys. Chem. Chem. Phys., Vol: 1, No: 2 , 1999
Stability and structure of van der Waals complexes between argon and sulfur containing compounds: tetrahydrothiphene-argon
Sanz M. Eugenia, Lopez Juan C., Alonso Jose L. et al.
Phys. Chem. Chem. Phys., Vol: 1, No: 2 , 1999
Ion association of alkali and alkaline earth metal azides in dimethylsulfoxide. Infrared spectrometry and ab initio calculations
Le Borgne C., Illien B., Beignon M., Chabanel M.
Phys. Chem. Chem. Phys., Vol: 1, No: 20 , 1999
FTIR-spectroscopy of molecular clusters in pulsed supersonic slit-jet expansions
Haber Thomas, Schmitt Ulrich, Suhm Martin A.
Phys. Chem. Chem. Phys., Vol: 1, No: 24 , 1999
Cluster and periodic ab initio study of the ethane-ethene hydride transfer reaction catalyzed by acid chabazite. Is the cluster model able to describe accurately the host-guest interactions?
Boronat M., Zicovich-Wilson C.M., Corma A., Viruela P.
Phys. Chem. Chem. Phys., Vol: 1, No: 4 , 1999
A theoretical study of the prereaction process of the H×××HF van der Waals molecule
Takayanagi Toshiyuki, Kurosaki Yuzuru
Phys. Chem. Chem. Phys., Vol: 1, No: 6 , 1999
Density functional studies of the pseudo-π.aσ charge-transfer complex between cyclopropane and chlorine monofluoride
Garcia A., Elorza J.M., Ugalde J.M.
Phys. Chem. Chem. Phys., Vol: 1, No: 9 , 1999
Fragmentation of percolation clusters in general dimensions
Cheon Mookyung, Heo Muyoung, Chang Iksoo, Stauffer Dietrich
Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 59, No: 5 , 1999
Theoretical model of diatomic molecules interacting on a two-dimensional lattice
Mola E. E., Ranea V., Vicente J. L.
Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 60, No: 5 , 1999
Structure of gaseous Kr in the low-q region by neutron scattering and interaction potentials
Guarini E., Casanova G., Bafile U., Barocchi F.
Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 60, No: 6 , 1999
Raman- and infrared sepctroscopic investigation of aqueous ZnSO[4] solutions from 8]C to 165°C: Inner- and outer-sphere complexes
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Z. phys. Chem., Vol: 209, No: 2 , 1999
Об основных электронных состояниях в незаряженных водных кластерах
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Докл. РАН, Vol: 364, No: 1 , 1999
Роль слабых (дисперсионных) межмолекулярных взаимодействий в формировании физических свойств органических соединений
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Ж. общ. химии, Vol: 69, No: 10 , 1999
Сильные межмолекулярные взаимодействия функциональных групп и их роль в формировании физических свойств органических соединений
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Ж. общ. химии, Vol: 69, No: 10 , 1999
Два способа образования пиразолов при ароилировании гидразона 2-фенацил-1H-бензимидазола
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Ж. общ. химии, Vol: 69, No: 5 , 1999
Структура водородсодержащих кремниевых кластеров. Малые кластеры
Мелешко В.П., Мороков Ю.Н., Швейгерт В.А.
Ж. структур. химии, Vol: 40, No: 1 , 1999
Изучение устойчивости полых сфероидальных кластеров кремния Si[n] и Si[n]H[n]
Мелешко В.П.
Ж. структур. химии, Vol: 40, No: 1 , 1999
Определение параметров обменных взаимодействий в гетероспиновых обменных кластерах
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Ж. структур. химии, Vol: 40, No: 1 , 1999
Использование структурной информации для оценки стабильности водных каркасов в клатратных и полуклатратных гидратах
Косяков В.И., Полянская Т.М.
Ж. структур. химии, Vol: 40, No: 2 , 1999
Влияние отталкивательного взаимодействия на структурные и динамические особенности жидкой воды. Роль молекулярной поляризуемости
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Ж. структур. химии, Vol: 40, No: 2 , 1999
Структура водородсодержащих кремниевых кластеров. Средние размеры
Мелешко В.П., Мороков Ю.Н., Швейгерт В.А.
Ж. структур. химии, Vol: 40, No: 4 , 1999
Квантовохимическое описание локальных электронных состояний в кристаллах. Карбид и нитрид титана
Рыжков М.В., Ивановский А.Л.
Ж. структур. химии, Vol: 40, No: 4 , 1999
Размер и структура молекулярных кластеров в сверхкритической воде
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Ж. структур. химии, Vol: 40, No: 4 , 1999
Об относительной стабильности циклических кластеров ртути
Томилин О.Б., Терехин И.И., Акамова Л.В.
Ж. структур. химии, Vol: 40, No: 6 , 1999
Синтез и строение трех изомерных кластерных комплексов состава (μ-H)Os[3]{μ-O[2]CC[5]H[4]Mn(CO)[3]}(PPh[3])[2](CO)[8]
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Ж. структур. химии, Vol: 40, No: 6 , 1999
Кластерные теллурсодержащие комплексы рения
Миронов Ю.В., Федоров В.Е.
Ж. структур. химии, Vol: 40, No: 6 , 1999
Эффекты электронной поляризации в молекулярных веществах (вода, пленки твердого фуллерена C[60] и полиацетилен)
Мисуркин И.А., Титов С.В.
Ж. физ. химии, Vol: 73, No: 2 , 1999
Модель сольватации молекул с полостью. Метод интегральных уравнений теории жидкости
Тихонов Д.А., Полозов Р.В.
Ж. физ. химии, Vol: 73, No: 4 , 1999
Исследование влияния давления на структурные особенности водного раствора хлорида натрия методом интегральных уравнений
Федотова М.В., Тростин В.Н.
Ж. физ. химии, Vol: 73, No: 6 , 1999
Влияние структуры цеолита на оптические свойства кластеров CdS, инкапсулированных в цеолитную матрицу
Толкачев Н.Н., Стахеев А.Ю., Кустов Л.М.
Ж. физ. химии, Vol: 73, No: 6 , 1999
Основное состояние оптического биполярона (квазимолекулярного димера) промежуточной силы связи
Мухоморов В.К.
Оптика и спектроскопия, Vol: 86, No: 1 , 1999
Люминесцентное изучение процесса ассоциации эозина с ионами редкоземельных элементов в воде
Шахвердов Т.А., Тураева З.Н., Низамов Н., Ермолаев В.Л.
Оптика и спектроскопия, Vol: 87, No: 2 , 1999
Спектроскопическое определение энергии донорно-акцепторного взаимодействия при фотовозбуждении молекулярных комплексов на примере карбазола и флуорена
Черкасов Ю.А., Александрова Е.Л., Пирятинский Ю.П.
Оптика и спектроскопия, Vol: 87, No: 6 , 1999
Микроволновая спектроскопия молекулярных ван-дер-ваальсовых комплексов в астрофизических исследованиях
Думеш Б.С.
Успехи физ. наук, Vol: 169, No: 3 , 1999
Исследование поверхностного натяжения жидкостей методами позитронной спектроскопии
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Хим. физ., Vol: 18, No: 4 , 1999
Мягкий метод синтеза аниона [B[12]H[11]CO]{-}
Сиваев И.Б., Брегадзе В.И., Шеберг С.
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Комплексы палладия в низших степенях окисления: стехиометрические реакциии и катализ
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Изв. РАН. Сер. хим., Vol: 1998, No: 5 , published: 01 January 1998
Квантово-химический анализ кластерных моделей координации нитроксильных радикалов имидазолинового ряда на поверхности силикагеля
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Изв. РАН. Сер. хим., Vol: 1998, No: 6 , published: 01 January 1998
Intra-cluster ionization and X-ray emission [1]. Comment by A. McPherson et al.: Applied Physics B 65, p. 667 (1997)
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Appl. Phys. B, Vol: 66, No: 5 , 1998
Formation, stability and fragmentation of biomolecular clusters in a supersonic jet investigated with nano- and femtosecond laser pulses
Meffert A., Grotemeyer J.
Ber. Bunsen- Ges. phys. Chem, Vol: 102, No: 3 , 1998
Numerical coupled Liouville approach: Application to nonperturbative second hyprpolarizability of a molecular aggregate
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Bull. Chem. Soc. Jpn., Vol: 71, No: 6 , 1998
Fragmentation of CO[2] clusters following electron impact
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Can. J. Phys., Vol: 76, No: 12 , 1998
Ab initio study of (NaCl)[n]Na{+} clusters
Ayuela A., Lopez J.M., Alonso J.A., Luana V.
Can. J. Phys., Vol: 76, No: 4 , 1998
Cavity distribution in liquid water and hydrophobic hydration
Tanaka Hideki
Chem. Phys. Lett., Vol: 282, No: 2 , 1998
Exchange narrowing in dynamically disordered molecular aggregates
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Chem. Phys. Lett., Vol: 284, No: 1-2 , 1998
An extended empirical valence bond model for describing proton transfer in H{+}(H[2]O)[n] clusters and liquid water
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Chem. Phys. Lett., Vol: 284, No: 1-2 , 1998
An artificial molecule of Ne[2] inside C[70]
Laskin Julia, Peres Tikva, Lifshitz Chava, Saunders Martin, Cross R.James, Khong Anthony
Chem. Phys. Lett., Vol: 285, No: 1-2 , 1998
Structure of the aniline-benzene and aniline-cyclohexane clusters based on infrared depletion spectroscopy
Chowdhury P.K., Sugawara K., Nakanaga T., Takeo H.
Chem. Phys. Lett., Vol: 285, No: 1-2 , 1998
Intermolecular interactions in the N=C-C=C-H dimer
Platts J.A., Howard S.T., Fallis I.A.
Chem. Phys. Lett., Vol: 285, No: 3-4 , 1998
Linear relationship for acidity and stability in hexaaqua metal ions-density functional studies
Chang Ch., M., Wang M.K.
Chem. Phys. Lett., Vol: 286, No: 1-2 , 1998
Global minima of water clusters (H[2]O)[n], n≤21, described by an empirical potential
Wales D.J., Hodges M.P.
Chem. Phys. Lett., Vol: 286, No: 1-2 , 1998
Spectroscopic properties of jet-cooled methanol clusters, n=1-6, attached to perylene
Palmer Ph.M., Topp M.R.
Chem. Phys. Lett., Vol: 286, No: 1-2 , 1998
Structural properties of [(AuPH[3])[6]Pt(H[2])(PH[3])]{2+}: Theoretical study of dihydrogen activation
Xu X., Yuan Y.Z., Asakura K., et al.
Chem. Phys. Lett., Vol: 286, No: 1-2 , 1998
Can the OH stretch vibrational spectra of (H[2]O)[n] clusters (n=1-6) be estimated from an empirical many-body model and a polynomial OH stretch potential?
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Chem. Phys. Lett., Vol: 286, No: 1-2 , 1998
Interaction between hydrogen peroxide and molecular nitrogen
Lundell J., Pehkonen S., Pettersson M., Rasanen M.
Chem. Phys. Lett., Vol: 286, No: 5-6 , 1998
Intermolecular interaction potentials of methane and ethylene dimers calculated with the Moller-Plesset, coupled cluster and density fluctional methods
Tsuzuki S., Uchimaru T., Tanabe K.
Chem. Phys. Lett., Vol: 287, No: 1-2 , 1998
determination of the structure and stability of water clusters using temperature dependent techniques
Quintana I.M., Ortiz W., Lopez G.E.
Chem. Phys. Lett., Vol: 287, No: 3-4 , 1998
Dipole-bound and interior electrons in water dimer and trimer anions: ab initio MO studies
Tsurusawa Takeshi, Iwata Suehiro
Chem. Phys. Lett., Vol: 287, No: 5-6 , 1998
Theoretical study of the structure and stability of Nb[x]O[y] and Nb[x]O[y]{+} (x=1-3; y=2-5, 7, 8) clusters
Sambrano J.R., Andres J., Beltran A., Sensato F., Longo E.
Chem. Phys. Lett., Vol: 287, No: 5-6 , 1998
(HX)[2] species (X=F through At) in the groups of the periodic system: MP2 and CCSD(T) ab initio quantum chemical calculations
Burda Jaroslav V., Rudolf Zahradnik, Pavel Hobza
Chem. Phys. Lett., Vol: 288, No: 1 , 1998
Excited state dynamics of 9,9`-bianthryl clusters with H[2]O and Ar
Ishida Tateki, Fujimura Yo, Fujiwara Takashige, Kajimoto Okitsugu
Chem. Phys. Lett., Vol: 288, No: 2-4 , 1998
Cluster formation by direct laser vaporization: evidence for the twofold mechanism
Liu Xiang-Hong, Zhang Xiao-Guang, Li Yue, Wang Xiu-Yan, Lou Nan-Quan
Chem. Phys. Lett., Vol: 288, No: 5-6 , 1998
Ab initio molecular orbital analysis of acetaldehyde dimers
Hermida-Ramon Jose M., Rios Miguel A.
Chem. Phys. Lett., Vol: 290, No: 4-6 , 1998
Microscopic solvation process of single Li atom in small water clusters
Takasu R., Taguchi T., Hashimoto K., Fuke K.
Chem. Phys. Lett., Vol: 290, No: 4-6 , 1998
Mass-action law for highly excited dimers
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Chem. Phys. Lett., Vol: 290, No: 4-6 , 1998
Theoretical study of the n-body interaction energies of the ring, cage and prism forms of (H[2]O)[6]
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Chem. Phys. Lett., Vol: 291, No: 1-2 , 1998
Cluster modeling of metal oxides: how to cut out a cluster?
Lu Xin, Xu Xin, Wang Nanqin, Zhang Qianer, Ehara Masahiro, Nakatsuji Hiroshi
Chem. Phys. Lett., Vol: 291, No: 3-4 , 1998
Generation of hydrated iodide clusters I-(H[2]O)[n] by laser vaporization, their fragmentation and reactions with HCl
Achatz U., Joos S., Berg C., Beyer M., Niedner-Schatteburg G., Bondybey V.E.
Chem. Phys. Lett., Vol: 291, No: 5-6 , 1998
Cage-forming tendencies in Si[n]N[m] clusters
Jackson Koblar, Jungnickel Gerd, Frauenheim Thomas
Chem. Phys. Lett., Vol: 292, No: 1-2 , 1998
Cluster modeling of metal oxides: the influence of the surrounding point charges on the embedded cluster
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Chem. Phys. Lett., Vol: 292, No: 3 , 1998
Spectroscopic properties of jet-cooled methanol clusters (n=1-6) attached to anthracene
Palmer Phillip M., Topp Michael R.
Chem. Phys. Lett., Vol: 292, No: 3 , 1998
Time domain localized-density-matrix method
Yokojima Satoshi, Chen GuanHua
Chem. Phys. Lett., Vol: 292, No: 4-6 , 1998
Terahertz laser vibration-rotation-tunneling spectrum of the water pentamer-d[10]
Cruzan Jeff D., Viant Mark R., Brown Mac G., Lucas Don D., Liu Kun, Saykally Richard J.
Chem. Phys. Lett., Vol: 292, No: 4-6 , 1998
A symbiotic algorithm for finding the lowest energy isomers of large clusters and molecules
Michaelian K.
Chem. Phys. Lett., Vol: 293, No: 3-4 , 1998
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Chem. Phys. Lett., Vol: 293, No: 3-4 , 1998
Triarylpyrylium salts: dynamics of the monomer-dimer equilibrium via a triplet absorption study
Lampre Isabelle, Markovitsi Dimitra, Sharonov Alexei
Chem. Phys. Lett., Vol: 293, No: 5-6 , 1998
Infrared and optical spectra of polymerized AC[60] fullerides
Kamaras K., Pekker S., Forro L., Tanner D.B.
Chem. Phys. Lett., Vol: 295, No: 4 , 1998
Matrix isolation of fullerene-derived CO[2] at ambient temperature
Taylor Roger, Penicaud Alain, Tower Nicole J.
Chem. Phys. Lett., Vol: 295, No: 5-6 , 1998
AM1/TIP3P molecular dynamics simulation of imidazole proton-relay processes in aqueous solution
Li G.-S., Martins-Costa M.T.C., Millot C., Ruiz-Lopez M.F.
Chem. Phys. Lett., Vol: 297, No: 1-2 , 1998
Photoelectron spectroscopy of the `missing` hydrated electron clusters (H[2]O)[n]{-}, n=3 5, 8 and 9: Isomers and continuity with the dominant clusters n=6, 7 and ≥11
Kim Jun, Becker Israela, Cheshnovsky Ori, Johnson Mark A.
Chem. Phys. Lett., Vol: 297, No: 1-2 , 1998
Evolution of electronic structure as a function of size in gallium phosphide semiconductor clusters
Taylor Travis R., Asmis Knut R., Xu Cangshan, Neumark Daniel M.
Chem. Phys. Lett., Vol: 297, No: 1-2 , 1998
Is NaI soluble in water clusters?
Gregoire G., Mons M., Dedonder-Lardeux C., Jouvet C.
Eur. Phys. J. D, Vol: 1, No: 1 , 1998
Diagnostics of mixed van der Waals clusters
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Eur. Phys. J. D, Vol: 1, No: 1 , 1998
Monte-Carlo simulations of rotating clusters
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Eur. Phys. J. D, Vol: 3, No: 3 , 1998
Surface coverage studies of the Al[13] icosahedron by Li using density based molecular dynamics
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Eur. Phys. J. D, Vol: 4, No: 1 , 1998
Photodissociation dynamics of Cl[2] in a xenon cluster
Mestdahg J.M., Berdah M., Auby N. et al.
Eur. Phys. J. D, Vol: 4, No: 3 , 1998
Can we rationalize the structure of small silicon-carbon clusters?
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Eur. Phys. J. D, Vol: 1, No: 2 , 1998
A flexible method for calculating vibrational spectra of clusters applied to methanol
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Eur. Phys. J. D, Vol: 1, No: 2 , 1998
Cluster ion emission in the interaction of slow highly charged ions with surfaces
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Eur. Phys. J. D, Vol: 1, No: 3 , 1998
Magnetic properties of a new spin cluster topology with high-spin ground state: the spin cluster [Mn[4]{II}Mn[3]{III}(teaH)[3])tea)[3]](ClO[4])[2]×3MeOH
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Europhys. Lett. , Vol: 43, No: 1 , 1998
Ultrasonic, dielectric and fluoresence spectral studies of dimerization effects in dilute aqueous solutions of laser dye rhodamine B
Srinivasa Rao K., Prakash G.V., Murthy J. Sree Rama
Indian J. Pure and Appl. Phys., Vol: 36, No: 1 , 1998
A theoretical procedure for determining rovibrational eigenstates of van der Waals complexes
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Relativistic pseudopotential calculations on Xe[2], RnXe, and Rn[2]: The van der Waals properties of radon
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Theoretical investigation of LaC{n+}[3] (n=0, 1, 2) clusters by density functional theory
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Torsional eigenvalues of the water trimer on several ab initio potential surfaces
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Theoretical study of fullerene derivatives: C[40]H[4] and C[40]X[4] cluster molecules
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Implementation of gradient-optimization algorithms and force constant computations in BSSE-free direct and conventional SCF approaches
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Numerical coupled Liouville approach: Quantum dynamics of linear molecular aggregates under intense electric fields
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The van der Waals molecules of carbonyl sulfide with hydrogen chloride and boron trifluoride. An infrared study in cryosolution
van der Veken B.J., Sluyts E.J., Herrebout W.A.
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Vibrational spectra and relative stability of the van der Waals complexes formed between cis-2-butene, trans-2-butene, 2-methylpropene and HCl: A FTIR and density functional study
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Molecular mechanics investigation of weak complexes: The case of CO:H[2]O
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Effect of intermolecular =C-H...O interaction on the crystal structure and vibrational properties of 2,6-dimethyl-4-nitropyridine N-oxide
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AMI/CI study of a molecular rectifier
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An ab initio and density functional theory study of the trimethylgallium-hydrogen selenide adduct: (CH[3])[3]Ga:SeH[2]
Maung N.
J. Mol. Struct. Theochem, Vol: 432, No: 2 , 1998
Photolysis at 266 nm of nitrosylchloride-water complex. Identification of the HONO...HCl complex. Matrix isolation infrared spectroscopic and ab initio studies
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J. Mol. Struct. Theochem, Vol: 447, No: 3 , 1998
Matrix isolation infrared spectroscopy and DFT calculations of complexes between water and nitrogen
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The structure of the boron trifluoride-sulfur dioxide complex
Peebles S.A., Sun L., Kuczkowski R.L., Nxumalo L.M., Ford T.A.
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The NO dimer, {14}N and {15}N isotopomers isolated in nitrogen matrix: a near, mid and far infrared study
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J. Mol. Struct. Theochem, Vol: 471, No: 1-3 , 1998
Effective bonding parameters for the prediction of electronic transition of CdS clusters
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Jpn. J. Appl. Phys., Part 1, Vol: 37, No: 2A , 1998
Stucture and binding of molecular clusters of trivalent metal halides in an ionic model
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Nuovo cim. D, Vol: 20, No: 5 , 1998
Hole pairing and flux quantization in model Cu-O clusters
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Nuovo cim. D, Vol: 20, No: 7-8 , 1998
Spectral signatures and metallization sequences of alkali-haide clusters
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Z. phys. Chem.(BRD Munchen), Vol: 203, No: 1-2 , 1998
Устойчивость кластеров воды на ионах гидрония, формирующихся в условиях радиоактивного облучения атмосферы
Шевкунов С.В.
Докл. РАН, Vol: 363, No: 2 , 1998
Самоассоциация молекул спиртов в конденсированной фазе при различных температурах
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Ж. прикл. спектроскопии, Vol: 65, No: 4 , 1998
Неэмпирическое исследование строения, силовых полей и колебательных спектров димерных молекул фторидов щелочных металлов MM`F[2] (M, M`=Li, Na, K)
Соломоник В.Г., Слизнев В.В.
Ж. структур. химии, Vol: 39, No: 2 , 1998
Расчет димеров щелочных элементов на основе модельной теории возмущений
Глушков А.В., Малиновский А.В., Ефимов В.А., Кивганов А.Ф., Хохлов В.Н., Витавецкая Л.А., Боровская Г.А.
Ж. структур. химии, Vol: 39, No: 2 , 1998
Влияние способа координации лигандов на относительную стабильность линейных кластеров ртути
Акамова Л.В., Томилин О.Б., Терехин И.И., Станкевич И.В., Чистяков А.Л.
Ж. структур. химии, Vol: 39, No: 4 , 1998
Рентгеновские фотоэлектронные спектры и магнитные свойства гидридов фуллеренов C[60]H[36] и C[70]H[36]
Шульга Ю.М., Лобач А.С., Морозов Ю.Г., Спектор В.Н., Овчинников А.А.
Ж. физ. химии, Vol: 72, No: 1 , 1998
Модель F`-центра для отрицательно заряженных металл-аммиачных кластеров
Лахно В.Д.
Изв. вузов. Физ., Vol: 62, No: 6 , 1998
Многозарядные кластерные анионы
Чуев Г.Н., Леонова Н.Л., Лахно В.Д.
Изв. вузов. Физ., Vol: 62, No: 6 , 1998
Молекулярно-динамическое моделирование внутримолекулярной подвижности дендримеров
Мазо М.А., Шейко С.С., Жилин П.А., Гусарова Е.Б., Балабаев Н.К.
Изв. вузов. Физ., Vol: 62, No: 6 , 1998
Влияние размера клстера на энергетическую релаксацию, проявлющееся через спектры люминесценции кластеров аргона, криптона и ксенона
Бондаренко Е.А., Верховцева Э.Т., Доронин Ю.С., Ратнер А.М.
Изв. вузов. Физ., Vol: 62, No: 6 , 1998
Моделирование конфигурации необычных кластеров
Каклюгин А.С.
Изв. вузов. Физ., Vol: 62, No: 6 , 1998
Кластерные анионы воды
Новаковская Ю.В., Степанов Н.Ф.
Изв. вузов. Физ., Vol: 62, No: 6 , 1998
Структура смешанных кластеров металлов
Ермилов А.Ю., Немухин А.В., Сергеев Г.Б.
Изв. вузов. Физ., Vol: 62, No: 6 , 1998
Atom and cluster bombardment of solids
Betz G., Dandachi C., Husinsky W.
Изв. РАН. Сер. физ., Vol: 62, No: 4 , 1998
Исследование образования отрицательно-ионных и нейтральных кластеров при распылении карбида ионами цезия
Атабаев Б.Г., Джаббарганов Р., Сайдханова Н.Г.
Изв. РАН. Сер. физ., Vol: 62, No: 4 , 1998
Редукция стоксовых потерь в одномерных молекулярных агрегатах
Малышев В.А.
Оптика и спектроскопия, Vol: 84, No: 2 , 1998
Расчет спектроскопических характкристик димеров щелочных элементов на основе модельной теории возмущений
Глушков А.В., Ефимов В.А., Гопченко Е.Д., Даньков С.В., Полищук В.Н., Голощак О.П.
Оптика и спектроскопия, Vol: 84, No: 5 , 1998
Неоднородность спектра анизотропии люминесценции J-агрегатов с двумя молекулами в элементарной ячейке
Варнавский О.П., Ван дер Аверер М., Витухновский А.Г., Щеблыкин И.Г.
Оптика и спектроскопия, Vol: 84, No: 6 , 1998
Электронная структура LaMnO[3] и CaMnO[3]: анализ методом многократного рассеяния
Яловега Г.Э., Солдатов А.В.
Оптика и спектроскопия, Vol: 85, No: 6 , 1998
Спектроскопия КАРС высокого разрешения ассоциатов углекислого газа и кинетика образования димеров в свободно раширяющихся струях
Вигасин А.А., Рамонат Л., Смирнов В.В., Хускен Ф.
Хим. физ., Vol: 17, No: 4 , 1998
Синтез кластеров Fe[2](CO)[6](μ-XCH[2]CH=CH[2])(μ[3]-X)Fe(CO)[2]Cp (X=Se,S;Cp=ν{5}-C[5]H[5])
Конченко С.Н., Максаков В.А., Филиппов И.Ю., Варнек В.А.
Изв. РАН. Сер. хим., Vol: 1997, No: 7 , published: 01 January 1997
Fe{IV}[2](μ-O)[2]-кластер и мостиковая активизация O[2] в активном центре метанмонооксигеназы
Штейман А.А.
Изв. РАН. Сер. хим., Vol: 1997, No: 9 , published: 01 January 1997
Синтез и строение комплекса Pd{II} с 3,3-динитропропиламином
Федоров Б.С., Головина Н.И., Струков Г.В., Кедров В.В., Аракчеева В.В., Трофимова Р.Ф., Шилов Г.В., Атовмян Л.О.
Изв. РАН. Сер. хим., Vol: 1997, No: 9 , published: 01 January 1997
Iron-sulfur clusters: Fascinating magnetic structures at the heart of ubiquitous proteins
Lamotte B., Mouesca J.-M.
C. R. Acad. Sci. Ser. 2, Vol: 524, No: 2 , 1997
Theoretical study of the isomerization of TaC{+}[n](n = 7-13) cations
Roszak S., Balasubramanian K.
Chem. Phys. Lett., Vol: 265, No: 3-5 , 1997
Monte Carlo simulations of water clusters on a parallel computer using an ab initio potential
Akhmatskaya E.V., Cooper M.D., Burton N.A., Masters A.J., Hiller I.H.
Chem. Phys. Lett., Vol: 267, No: 1-2 , 1997
N[2] adsorption around small Ni[n] (n=2-4) clusters
Reuse F.A., Khanna S.N., Reddy B.V., Buttet J.
Chem. Phys. Lett., Vol: 267, No: 3-4 , 1997
Electron transfer processes in binary van der Waals clusters via the N{-}[2]({2}Π[g]) resonance
Matejcik S., Cicman P., Kiendler A., Senn G., Illenberger E., Mark T.D.
Chem. Phys. Lett., Vol: 267, No: 3-4 , 1997
Single- and double-layer coupling of Schrodinger and Poisson-Boltzmann equations
Wilson W.D., Schaldach C.M., Bourcier W.L.
Chem. Phys. Lett., Vol: 267, No: 5-6 , 1997
C[240]-The most chemically inert fullerene?
Haddon R.C., Scuseria G.E., Smalley R.E.
Chem. Phys. Lett., Vol: 272, No: 1-2 , 1997
Norbornane-type water heptamer
Kryachko E.S.
Chem. Phys. Lett., Vol: 272, No: 1-2 , 1997
Structures and formation mechanism of potassium cyanide clusters
Zhang X.-G., Li H.-Y., Ma Ch.-Sh., Wang X.-Y., Bai J.-L., He G.-Zh., Lou N.-Q.
Chem. Phys. Lett., Vol: 274, No: 1-3 , 1997
Pt{I}-Pt{I} bond energy in dinuclear Pt{I} complexes. A theoretical study
Sugimoto M., Horiuchi F., Sakaki Sh.
Chem. Phys. Lett., Vol: 274, No: 5-6 , 1997
Silicon-carbon mixed clusters
Pellarin M., Ray C., Melinon P., Lerme J., Bialle J.L., Keghelian P., Perez A., Broyer M.
Chem. Phys. Lett., Vol: 277, No: 1-3 , 1997
Semiempirical quantum chemical calculation of the energy of interaction of solute molecule with solvent
Datta Sambhu N., Deshpande Rahul
Indian J. Pure and Appl. Phys., Vol: 35, No: 8 , 1997
Phases and phase changes in clusters of tert-butyl thiol
Hovick J.W., Bartell L.S.
J. Mol. Struct. Theochem, Vol: 413-4, No: , 1997
Critical probabilities for diversity and number of clusters in randomly occupied square lattices
Tsang I.R., Tsang I.J.
J. Phys. A, Vol: 30, No: 8 , 1997
Soluble three-dimensional polysilane with organosilicon nanocluster structure
Watanabe A., Fujitsuka M., Ito O., Miwa T.
Jpn. J. Appl. Phys., Part 1, Vol: 36, No: 9A-9B , 1997
One-electron approach and the theory of the self-consistent cluster-embedding calculation method (Physics Letters A 226 (1997) 223)
Zheng H.
Phys. Lett. A, Vol: 231, No: 5-6 , 1997
Constrained Hamiltonian approach to the phase space of the coupled cluster method
Arponen J.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 55, No: 4 , 1997
Monte Carlo growth method: Application to molecular clusters
Bertolus M., Brenner V., Millie P., Mailler J.-B.
Z. Phys. D, Vol: 39, No: 3 , 1997
Самосборка регулярных кластеров при ассоциации молекул внутримолекулярно сверхсшитого полистирола
Даванков В.А., Ильин М.М., Тимофеева Г.И., Цюрупа М.П.
Докл. РАН, Vol: 352, No: 4 , 1997
Моделирование фрагментарной подвижности антител методом молекулярной динамики
Гайсенок В.А., Грушевская Г.В., Крылов Г.Г., Блохин А.П., Гелин М.Ф.
Ж. прикл. спектроскопии, Vol: 63, No: 5 , 1997
Модель виртуальных цепей для описания малых газоподобных кластеров
Жуховицкий Д.И.
Изв. РАН. Сер. физ., Vol: 61, No: 9 , 1997
Время жизни биполяронных состояний в водном кластере
Лахно В.Д.
Изв. РАН. Сер. физ., Vol: 61, No: 9 , 1997
Оптимизированная модель "желе" для кластеров с экранированным кулоновским взаимодействием
Иванов В.К., Ипатов А.Н.
Изв. РАН. Сер. физ., Vol: 61, No: 9 , 1997
Модельное представление растворов электролитов, основанное на масс-спектрах ионных кластеров, испаренных из растворов в вакуум под действием сильного электрического поля
Золотой Н.Б., Карпов Г.В.
Изв. РАН. Сер. физ., Vol: 61, No: 9 , 1997
Поляронные состояния в незаряженных молекулярных кластерах
Балабаев Н.К., Лахно В.Д., Панкратов А.Н., Устинин М.Н.
Изв. РАН. Сер. физ., Vol: 61, No: 9 , 1997
Self-expansion and compression of charged clusters of stabilized jellium
Vieira Armando, Fiolhais Carlos, Brajczewska Marta, Perdew John P.
Int. J. Quantum Chem. Quantum Biol. Symp., Vol: 1996, No: 30 , published: 01 January 1996
Исследование структуры кластеров этана методом Монте-Карло
Вишняков А.М.
Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 1996, No: 1 , published: 01 January 1996
Молекулярные характеристики водорастворимых фуллереновых производных аминокислот и пептидов
Тимофеева Г.И., Романова В.С., Лопанова Л.А.
Изв. РАН. Сер. хим., Vol: 1996, No: 4 , published: 01 January 1996
Межмолекулярные взаимодействия тетраанионов макроциклического тетрарезорцинола в растворах H[2]O-DMF
Мустафина А.Р., Галимов Р.Р., Ермолаева Л.В., Сарварова Н.Н., Бурилов А.Р., Резник В.С.
Изв. РАН. Сер. хим., Vol: 1996, No: 5 , published: 01 January 1996
Biological activity of water-soluble fullerenes. Structural dependence of DNA cleavage, cytotoxicity, and enzyme inhibitory activities including HIV-protease inhibition
Nakamura Eiichi, Tokuyama Hidetoshi, Yamago Shigeru, Shiraki Takashi, Sugiura Yukio
Bull. Chem. Soc. Jpn., Vol: 69, No: 8 , 1996
Symmetry breaking and effective motional averaging in double triangular clusters with exchange and electron transfer effects
Gatteschi Dante, Tsukerblat Boris S.
Chem. Phys., Vol: 202, No: 1 , 1996
EPR studies of the excited triplet states of C[60]O and C[60]C[2]H[4]N(CH[3]) fullerene derivatives and C[70] in toluene and polymethylmethacrylate glasses and as films
Agostini G., Corvaja C., Pasimeni L.
Chem. Phys., Vol: 202, No: 2-3 , 1996
Intracluster ion-molecule reactions induced by the synchrotron radiation in allyl bromide-ammonia cluster
Dedonder-Lardeux C., Jouvet C., Martrenchard-Barra S., Solgadi D., Talbot F., Verloet M., Dimicoli I., Rachard-Viard M.
Chem. Phys., Vol: 212, No: 2-3 , 1996
Internal structure and stability of carbon nanocluster: Arc discharge preparation versus CO disproportionation
Jiao J., Seraphin S.
Chem. Phys. Lett., Vol: 249, No: 1-2 , 1996
Experimental detection of stacking faults in rare gas clusters
Kovalenko S.I., Slonyshkin D.D., Verkhovtseva E.T., Eremenko V.V.
Chem. Phys. Lett., Vol: 250, No: 3-4 , 1996
Solvation of metal atoms in quantum clusters: structural and vibrational properties of Hg(H[2])[12]) and Mg(H[2])[12]
Broude Sharon, Gerber Benny R.
Chem. Phys. Lett., Vol: 258, No: 3-4 , 1996
Theoretical study of water clusters: nonamers
Jensen J.O., Krishnan P.N., Burke L.A.
Chem. Phys. Lett., Vol: 260, No: 3-4 , 1996
Chemical deposition of silver nanoclusters on self-assembled organic monolayers. A strategy to contact individual molecules
Grummt U.-W., Geissler M., Schmitz-Huebsch Th.
Chem. Phys. Lett., Vol: 263, No: 3-4 , 1996
A study of coronene-coronene association using atom-atom pair potentials
Rubio M., Orti E., Sanchez-Marin J.
Int. J. Quantum Chem. 1998. 69,, Vol: 57, No: 4 , 1996
Quantum chemical study of self-organized water fractals
Andreev Ye.A., Repyakh I.V.
Int. J. Quantum Chem. 1998. 69,, Vol: 57, No: 4 , 1996
Heterogeneously catalyzed hydrolysis of chlorine nitrate: Fourier-transform ion cyclotron resonance investigations of stratospheric chemistry
Schindler Thomas, Berg Christian, Niedner-Schatteburg Gereon, Bondybey Vladimir E.
J. Chem. Phys., Vol: 104, No: 11 , 1996
Microshock wave propagation in molecular clusters
Schek Israel, Jortner Joshua
J. Chem. Phys., Vol: 104, No: 11 , 1996
Homogeneous nucleation rates for n-pentanol in argon: Determination of the critical cluster size
Hruby J., Viisanen Y., Strey R.
J. Chem. Phys., Vol: 104, No: 13 , 1996
Theoretical study of gas-phase Na[n]Pb clusters and implications for liquid Na-Pb alloys
Chang J., Stott M.J., Alonso J.A.
J. Chem. Phys., Vol: 104, No: 20 , 1996
Direct measurement of the size of the helium dimer
Luo F., Giese C.F., Gentry W.R.
J. Chem. Phys., Vol: 104, No: 3 , 1996
Na[x]Au and Cs[x]Au bimetal clusters: Finite size analogs of sodium-gold and cesium-gold compounds
Helz U., Yeretzian Ch.
J. Chem. Phys., Vol: 105, No: 13 , 1996
vander Waals clusters in the ultraquantum limit: A Monte Carlo study
Meierovich M., Mushinski A., Nughtingale M.P.
J. Chem. Phys., Vol: 105, No: 15 , 1996
Tunneling dynamics in water tetramer and pentamer
Gregory J.K., Clary D.C.
J. Chem. Phys., Vol: 105, No: 16 , 1996
A density-functional study of the intermolecular interactions of benzene
Meijer E.J., Sprik M.
J. Chem. Phys., Vol: 105, No: 19 , 1996
The mobilities of NO{+}(CH[3]CN)[n] cluster ions (N=0-3) driffing in helium and in helium-acetonitrile mixtures
de Gouw J.A., Ning Ding L., Krishnamurthy M., Lee H.S., Anthony E.B., Bierbaum V.M., Leone S.R.
J. Chem. Phys., Vol: 105, No: 23 , 1996
Thermal conductivity of gas mixtures
Singh K., Dham A.K., Gupta S.C.
J. Phys. B: At. Mol. Opt. Phys., Vol: 29, No: 5 , 1996
Ab initio investigations on Sb[4] analogous Zintl clusters
Hagelberg F., Srinivas S., Sahoo N., Das T.P., Weil K.G.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 53, No: 1 , 1996
Study of intracluster atomic mobility in ultrafine clusters of γ-ferric oxide by Mossbauer spectroscopy and thermodynamical analysis
Suzdalev I.P., Buravtsev V.N., Imshennik V.K., et al.
Z. Phys. D, Vol: 36, No: 2 , 1996
A molecular dynamics study of small water clusters comparing two flexible models for water
Guvenc Z.B., Anderson M.A.
Z. Phys. D, Vol: 36, No: 2 , 1996
Magnetic properties of ultrafine ferrihydrite clusters studied by Mossbauer spectroscopy and by thermodynamical analysis
Suzdalev I.P., Buravtsev V.N., Imshennik V.K., et al.
Z. Phys. D, Vol: 37, No: 1 , 1996
Effect of cluster size on the chemical ordering in nanometer-sized Au-75at%Cu alloy clusters
Yasuda H., Mori H.
Z. Phys. D, Vol: 37, No: 2 , 1996
Метод атом-атомных корреляционных функций для исследования линейных структур в растворе
Тихонов Д.А., Саркисов Г.Н.
Ж. физ. химии, Vol: 70, No: 11 , 1996
О плотности вероятности распределения ближайших соседних молекул
Лаврик Н.Л., Волошин В.П.
Ж. физ. химии, Vol: 70, No: 6 , 1996
Кластеры в растворах фуллеренов
Безмельницын В.Н., Елецкий А.В., Окунь М.В., Степанов Е.В.
Изв. РАН. Сер. физ., Vol: 60, No: 9 , 1996
Биполяронные состояния электронов в кластерах
Лахно В.Д.
Изв. РАН. Сер. физ., Vol: 60, No: 9 , 1996
Структура и динамика кластеров воды. Численное моделирование
Маленков Г.Г., Тытик Д.Л.
Изв. РАН. Сер. физ., Vol: 60, No: 9 , 1996
Аппроксимация решений нелинейной краевой задачи о поляроне в кластере
Устинин М.Н.
Изв. РАН. Сер. физ., Vol: 60, No: 9 , 1996
Thermodynamics of fluid sulfur hexafluoride from molecular dynamics simulations
Lustig R.
Ber. Bunsen- Ges. phys. Chem, Vol: 99, No: 12 , 1995
Mixed-valence polyoxometalate clusters. I. Delocalization of electronic pairs in dodecanuclear heteropoly blues with Keggin structure
Borras-Almenar J.J., Clemente J.M., Coronado E., Tsukerblat B.S.
Chem. Phys., Vol: 195, No: 1-3 , 1995
Mixed-valence polyoxometalate clusters. II. Delocalization of electronic pairs in 18-site heteropoly blues with Wells-Dawson structure
Borras-Almenar J.J., Clemente J.M., Coronado E., Tsukerblat B.S.
Chem. Phys., Vol: 195, No: 1-3 , 1995
Icosahedral clusters with pair interaction of atoms
Smirnov B.M.
Chem. Phys. Lett., Vol: 232, No: 4 , 1995
Monte Carlo simulations of M{+}Cl{-}(H[2]O)[n](M=Li,Na) clusters and the dissolving mechanism of ion pairs in water
Asada T., Nishimoto K.
Chem. Phys. Lett., Vol: 232, No: 5-6 , 1995
Anisptropic repulsion in complexes B...Cl[2] and B...HCl: The shape of the chlorine atom-in-a-molecule
Peebles S.A., Fowler P.W., Legon A.C.
Chem. Phys. Lett., Vol: 240, No: 1-3 , 1995
Polaron nature of critical size of ammonia cluster
Balabaev N.K., Lakhno V.D.
Chem. Phys. Lett., Vol: 240, No: 5-6 , 1995
Quantum-molecular-dynamics simulations of isotopic mixtures of dense, hot hydrogen
Kwon I., Collins L., Kress J., Troullier N.
Europhys. Lett. , Vol: 29, No: 7 , 1995
A density-functional study of cluster reactivity. II. Two ammonia molecules reacting with a free Ga[5]As[5] cluster
Mackey J., Lou L., Nordlander P.
J. Chem. Phys., Vol: 102, No: 19 , 1995
Molecular dynamics study of water clusters containing ion pairs: From contact to dissociation
Laria D., Fernandez-Prini R.
J. Chem. Phys., Vol: 102, No: 19 , 1995
Successive capture and coagulation of atoms and molecules to small clusters in large liquid helium clusters
Lewerenz M., Schilling B., Toennies J.P.
J. Chem. Phys., Vol: 102, No: 20 , 1995
Quantum simulation of aqueous ionic clusters
Gai H., Dang L.X., Schenter G.K., Garrett B.C.
J. Phys. Chem, Vol: 99, No: 36 , 1995
High-pressure studies of the viscosity effects on the formation of the twisted intramolecular charge-transfer (TICT) state in 4,4{`}-diaminodiphenyl sulfone (DAPS)
Bulgarevich D.S., Kajimoto O., Hara K.
J. Phys. Chem, Vol: 99, No: 36 , 1995
Молекулярно-динамическое моделирование кластеров метанола
Захаров В.В., Бродская Е.Н.
Ж. физ. химии, Vol: 69, No: 4 , 1995
Кристаллосольват C[60] с трихлорэтиленом C[60]×C[2]HCl[3]
Гриценко В.В., Дьяченко О.А., Кущ Н.Д. и др.
Изв. РАН. Сер. хим., Vol: 1994, No: 7 , published: 01 January 1994
Solvation of hydrochloric acid in protonated water clusters
Schindler Th., Berg Ch., Niedner-Schatteburg G., et al.
Chem. Phys. Lett., Vol: 229, No: 1-2 , 1994
Studies of the metastable decay of met-cars. The vanadium and niobium systems
Purnell J., Wei S., Castleman A.W., Jr
Chem. Phys. Lett., Vol: 229, No: 1-2 , 1994
Applications of molecular dynamics simulations coupled with Harris functional approximation to argon
Lee Ch., Long X., Carpenter I., Smithline Sh., Fitzgerald G.
Int. J. Quantum Chem. 1998. 69,, Vol: 49, No: 4 , 1994
Studies of the electronic and dynamic properties of high-potential iron proteins by substitution with non-natural amino acids. 3-fluorotyrosine-modified Chromatium vinosum high-potential iron protein
Lui S.M., Cowan J.A.
J. Am. Ceram. Soc. , Vol: 116, No: 10 , 1994
Crossed-beam (full collision) versus van der Waals (half collision) studies. Application to the determination of the D[0]{0}(Ca×××HCl)
Menendez M., Garay M., Verdasco J.E., Gonzalez Urena A.
J. Chem. Phys., Vol: 100, No: 1 , 1994
Ab initio studies of cyclic water clusters (H[2]O)[n], n=1-6. II. Analysis of many-body interactions
Xantheas S.S.
J. Chem. Phys., Vol: 100, No: 10 , 1994
Trapping of guest in a rare gas matrix. A molecular dynamics simulation
Fraenkel R., Haas Y.
J. Chem. Phys., Vol: 100, No: 6 , 1994
Properties of size and composition selected gas phase alkali fulleride clusters
Weis P., Beck R.D., Brauchle G., Kappes M.M.
J. Chem. Phys., Vol: 100, No: 8 , 1994
Evidence for the formation of clathrate structures of protonated water-methanol clusters at thermal energy
Zhang X., Castleman A.W., Jr
J. Chem. Phys., Vol: 101, No: 2 , 1994
Computer simulations of cesium-water clusters: Do ion-water clusters form gas-phase clathrates?
Smith D.E., Dang L.X.
J. Chem. Phys., Vol: 101, No: 9 , 1994
Electron diffraction studies of the kinetis of changes in clusters. 4. Freezing of ammonia
Huang J, Bartell L.S.
J. Phys. Chem, Vol: 98, No: 17 , 1994
Mass spectrometric investigation of dimethoxyethane clusters: Complete solvation of a protonated cation
Vaidyanathan G., Garvey J.F.
J. Phys. Chem, Vol: 98, No: 9 , 1994
Calculation of orientation-dependent double-tensor moments for Coulomb-type intermolecular interactions
Hattig Chr., Heb B.A.
Mol. Phys. , Vol: 81, No: 4 , 1994
Stationary multideterminantal coupled-cluster response
Vaval N., Roy R., Pal S.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 49, No: 3 , 1994
Фазовые и структурные превращения в микрокластерах воды
Киров М.В.
Ж. структур. химии, Vol: 35, No: 1 , 1994
Кластеры, циклы и полиэдры в воде и растворах по данным компьютерного эксперимента
Бушуев Ю.Г., Лященко А.К.
Ж. физ. химии, Vol: 68, No: 3 , 1994
Возникновение ассоциативных комплексов в кластерном пучке аргона
Долгин А.И., Ходорковский М.А., Завилопуло А.Н.
Письма в ЖТФ, Vol: 20, No: 17 , 1994
О гетероассоциатах сульфированного фталоцианина и Pd-тетра(4-N-метилпиридил)порфина в жидких растворах
Сапунов В.В., Егорова Г.Д.
Хим. физ., Vol: 13, No: 7 , 1994
Критический размер кластеров молекул воды на углеродной поверхности
Вартапетян Р.Ш., Волощук А.М., Шумилина Э.Б.
Изв. РАН. Сер. хим., Vol: 1993, No: 1 , published: 01 January 1993
Highly monodisperse quantum sized CdS particles by size selective precipitation
Chemseddine A., Weller H.
Ber. Bunsen- Ges. phys. Chem, Vol: 97, No: 4 , 1993
Frittage en phase liquide: L`etape de rearrangement conduit spontanement a une microstructure en amas
Chaix J.-M.
C. R. Acad. Sci. Ser. 2, Vol: 316, No: 12 , 1993
Selective electrosynthesis of (CH[3])[2]C[60]: A novel method for the controlled functionalization of fullerenes
Caron C., Subramanian R., D`Souza F., Kim J., Kutner W., Jones M.Th., Kadish K.M.
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Molecular self-assembly through hydrogen bonding: Aggregation of five molecules to form a discrete supramolecular structure
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Mass spectrometric investigation of 2-methoxyethanol and 2-ethoxyethenol clusters: Magic numbers and structural implications
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Inelastic neutron scattering study of the metal cluster compound Li[6][Zr[6]Cl[18]H]
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Влияние вида молекулярной модели воды на поверхностный потенциал в численном эксперименте
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Вестн. С.-Петербург. ун-та. Сер. 4, Vol: 1992, No: 4 , published: 01 January 1992
Associates, clusters, intermolecular complexes, supramolecular systems: van der Waals species
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Ber. Bunsen- Ges. phys. Chem, Vol: 96, No: 9 , 1992
Solute-solvent interactions between cyclodextrin and water: A molecular mechanical study
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Chem. Phys., Vol: 161, No: 3 , 1992
Ion attachment to van der Waals clusters: Reactions of NO{+} with Ar[m]
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Magic numbers in molecular clusters: A probe for dhemical reactivity
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Intracluster ion-molecule reactions within ethylene-methanol heteroclusters
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The incremental approach to noncovalent interactions: Coulomb and van der Waals effects in organic ion pairs
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Local structural order and molecular associations in water-DMSO mixtures. Molecular dynamics study
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Site specificity of solvent shifts as revealed by ionization threshold in aniline-(argon)[n] clusters
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Closed-shell fullerene and fulleroid carbon cylinders
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J. Chem. Soc. Faraday Trans, Vol: 88, No: 18 , 1992
Quantitative approach to molecular interactions using the electronegativity equalization method
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J. Chem. Soc. Faraday Trans, Vol: 88, No: 18 , 1992
A computational evaluation of the water-dimer populations in saturated steam recommended for applications to the Earth`s, planetary and cometary atmospheres
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Proton transfer between acetic acid and methylamine in aqueous solution. Ab initio and molecular dynamics study of free energies of hydration
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Theoretically predicted lowest-energy structures of water clusters
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Self-association of pyridine monocarboxylic acids and their esters on aqueous solution. A study by ultraviolet spectroscopy
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Direct correlation between lithium cation and carboxyl anion in highly concentrated aqueous solution
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Production and properties of CO[2] cluster anions
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Межмолекулярные взаимодействия метанола и метилацетата со спиртами
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Квантово-химическое исследование молекулярных комплексов димера хлористого водорода
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The chiroptical signature of achiral metal clusters induced by dissymmetric adsorbates
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DFT study of vibrational circular dichroism spectra of D-lactic acid-water complexes
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Size-selected methyl lactate clusters: fragmentation and spectroscopic fingerprints of chiral recognition
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Computational studies of molecular hydrogen binding affinities: The role of dispersion forces, electrostatics, and orbital interactions
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Phys. Chem. Chem. Phys., Vol: 8, No: 12 , published: 01 January 1990
Computational studies of molecular hydrogen binding affinities: The role of dispersion forces, electrostatics, and orbital interactions
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Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO
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Phys. Chem. Chem. Phys., Vol: 8, No: 6 , published: 01 January 1990
Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO
Rossler Norbert, Kotsis Konstantinos, Staemmler Volker
Phys. Chem. Chem. Phys., Vol: 8, No: 6 , published: 01 January 1990
Electron localization in negatively charged formamide clusters studied by photodetachment spectroscopy
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Phys. Chem. Chem. Phys., Vol: 8, No: 7 , published: 01 January 1990
Electron localization in negatively charged formamide clusters studied by photodetachment spectroscopy
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Density functional theory study on the structure and properties of Mg[m]B[n] (m = 1, 2; n = 1-4) clusters
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Acta phys. sin., Vol: 55, No: 1
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Structure of highly concentrated aqueous lithium alaninate solutions studied by neutron diffraction with {14}N/{15}N, {6}Li/{7}Li, and H/D isotopic substitution methods
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Investigation of interparticle interactions of larger (4.63 nm) monolayer protected gold clusters during quantized double layer charging
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Расчет методом функционала плотности димеpов α-циклодекстpина. Вклад водоpодных связей в энеpгию обpазования
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Хим. физ., Vol: 25, No: 2
A uudd cyclic water tetrameter and an opened octameric water cluster in the charge-transfer salts of the bipyridinium cation
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Theoretical analysis of pyridine protonation in water clusters of increasing size
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DFT study of fullerene dimers
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Complexes and clusters of water relevant to atmospheric chemistry: H[2]O complexes with oxidants
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ChemPhysChem., Vol: 6, No: 3
C-H...O hydrogen bonds in cyclohexenone reveal the spectroscopic behavior of C[sp{3}]-H and C[sp{2}]-H donors
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ChemPhysChem., Vol: 6, No: 3
Van der Waals interactions in aromatic systems: structure and energetics of dimers and trimers of pyridine
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Probing the transition state with negative ion photodetachment: Experiment and theory
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Exact exchange and Wilson-Levy correlation: A pragmatic device for studying complex weakly-bonded systems
Walsh T.R.
Phys. Chem. Chem. Phys., Vol: 7, No: 3
Electronic spectroscopy and photodissociation dynamics of Co{2+}-methanol clusters: Co{2+}(CH[3]OH)[n] (n = 4-7)
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Phys. Chem. Chem. Phys., Vol: 7, No: 5
Hypervalent ammonium radicals. Competitive N-C and N-H bond dissociations in methyl ammonium and ethyl ammonium
Yao Chunxiang, Turecek Frantisek
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Multiphoton ionization and oxidation processes of Mg-ammonia clusters
Okai Nobuhiro, Yoshida Shinji, Aranishi Kengo, et al.
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Adsorption of carbon monoxide on smaller gold-cluster anions in an atmospheric-pressure flow-reactor: temperature and humidity dependence
Wallace William T., Wyrwas Richard B., Leavitt Andrew J., et al.
Phys. Chem. Chem. Phys., Vol: 7, No: 5
Photochemistry of MCl(H[2]O)[4], M = H, Li, Na clusters: finite-size models of the photodetachment of the chloride anion in salt solutions
Sobolewski Andrzej L., Domcke Wolfgang
Phys. Chem. Chem. Phys., Vol: 7, No: 5
Hydrogen formation in the reaction of Zn{+}(H[2]O)[n] with HCl
Fox-Beyer Brigitte S., Sun Zheng, Balteanu Iulia, et al.
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Reaction and solvation of sodium in hydrogen bonded solvent clusters
Steinbach Christof, Buck Udo
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Infrared photodissociation of (NO)[n]{+}×X cluster ions (n ≤ 5)
Odeneye M.A., Stace A.J.
Phys. Chem. Chem. Phys., Vol: 7, No: 5
Reaction mechanisms for size-dependent H loss in Mg{+}(H[2]O)[n]: colvation controlled electron transfer
Siu Chi-Kit, Liu Zhi-Feng
Phys. Chem. Chem. Phys., Vol: 7, No: 5
Consecutive fragmentations of the cubane-like zinc cluster [CH[3]Zn(O-i-C[3]H[7])][4] upon electron ionization
Schroder Detlef, Schwarz Helmut, Polarz Sebastian, et al.
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Elementary supramolecular chemistry in the gas phase: ligand exchange reactions of proton-bound clusters of aliphatic amides and diamides with amines
Witt Matthias, Kreft Dirk, Grutzmacher Hans-Friedrich
Phys. Chem. Chem. Phys., Vol: 7, No: 5
Influence of polarization and many body quantum effects on the solvation shell of Al(III) in dilute aqueous solution-extended ab initio QM/MM MD simulations
Hofer Thomas S., Randolf Bernhard R., Rode Bernd M.
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Structure, electroniccircular dichroism and Raman optical activity in the gas phase and in solution: a computational and experimental investigation
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Density-functional study of structural and electronic properties of Al[n]N(n=2-12) clusters
Wang Baolin, Zhao Jijun, Shi Daning, Chen Xiaoshuang, Wang Guanghou
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 72, No: 2
Silicon-carbon fullerenelike nanostructures: An ab initio study on the stability of Si[60]C[2n] (n=1, 2) clusters
Srinivasan A., Huda M. N., Ray A. K.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 72, No: 6
Defect production and formation of helium-vacancy clusters in cascades of α-iron with different concentration of helium
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Acta phys. sin., Vol: 54, No: 10.
Fluorescence spectrum characteristics of ethanol-water clusters
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Structures and stabilities of Au[n]X[m] (n + m = 4, X = Cu, Al, Y) clusters
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Acta phys. sin., Vol: 54, No: 8
Study on the structures and properties of small Pd-Y clusters
Guo Jian-Jun, Yang Ji-Xian, Die-Dong, et al.
Acta phys. sin., Vol: 54, No: 8
Квантово-химическое изучение влияния сольватации на устойчивость дииодгалогенид-анионов
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Pulsed nozzle Fourier transform microwave spectrometer: advances and applications
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Fourier transform infrared imaging and unsupervised hierarchical clustering applied to cervical biopsies
Bambery Keith R., Wood Bayden R., Quinn Michael A., et al.
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DFT Calculations on group 5 mixed metal tetramers: Ta[x]Nb[y]V[z] (x + y + z = 4)
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Covalent linking of coordination-organized slipped cofacial porphyrin dimers
Ohashi A., Satake A., Kobuke Y.
Bull. Chem. Soc. Jpn., Vol: 77, No: 2
Synthesis, crystal structures, and electrical properties of anion radical salts of novel electron acceptors, 2,6-dicyanomethylene-4-oxo-2,6-dihydrocyclopentadithiophene (CPDT-TCNQ) and its diselenophene analogue (CPDS-TCNQ), having three electron-withdrawing groups
Tarutani Shinji, Takahashi Kazuko
Bull. Chem. Soc. Jpn., Vol: 77, No: 3
Spectroscopic observation of the dimerization reactions of the 9-phenylcarbazole cation radical in acetonitrile
Oyama Munetaka, Matsui Jun
Bull. Chem. Soc. Jpn., Vol: 77, No: 5
The Jahn-Teller effect of the Ti{III} ion in aqueous solution: Extended ab initio QM/MM molecular dynamics simulations
Kritayakornupong Ch., Plankensteiner K., Rode B.M.
ChemPhysChem., Vol: 5, No: 10
Molecular complexes of organometallic molecules with noble gases: the rotational spectrum of dimethylsilane-argon
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ChemPhysChem., Vol: 5, No: 11
Manganese, iron, cobalt, and mickel oxo-, peroxo-, and superoxoclusters: a density functional theory study
Uzunova E.L., Nikolov G.S., Mikosch H.
ChemPhysChem., Vol: 5, No: 2
Formation of light-emitting Ag[2] and Ag[2] species in the course of condensation of Ag atoms with Ar
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ChemPhysChem., Vol: 5, No: 3
Microsolvation of phthalocyanines in superfluid helium droplets
Lehnig R., Slenczka A.
ChemPhysChem., Vol: 5, No: 7
An in situ time-dependent study of the photodimerisation of chloro-derivatives of trans-cinnamic acid using infrared microspectroscopy with a synchrotron radiation source
Atkinson Samantha D.M., Almond Matthew J., Hibble Simon J., et al.
Phys. Chem. Chem. Phys., Vol: 6, No: 1
Dramatic enhancement of intrinsic two-photon absorption in a conjugated porphyrin dimer
Karotki Aliaksandr, Drobizhev Mikhail, Dzenis Yuliya, et al.
Phys. Chem. Chem. Phys., Vol: 6, No: 1
Excited-state double-proton transfer dynamics of deuterated 7-azaindole dimers in a free jet studied by hole-burning spectroscopy
Sakota Kenji, Hara Akihiko, Sekiya Hiroshi
Phys. Chem. Chem. Phys., Vol: 6, No: 1
β-Sheet model systems in the gas phase: structures and vibrations of Ac-Phe-NHMe and its dimer (Ac-Phe-NHMe)[2]
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Phys. Chem. Chem. Phys., Vol: 6, No: 10
Microsolvation of the indole cation (In{+}) in a nonpolar environment: IR spectra of In{+}-L[n] complexes (L = Ar and N[2], n ≤ 8)
Solca Nicola, Dopfer Otto
Phys. Chem. Chem. Phys., Vol: 6, No: 10
The mid-IR absorption spectrum of gas-phase clusters of the nucleobases guanine and cytosine
Baker Joost M., Compagnon Isabelle, Meijer Gerard, et al.
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A theoretical study of the bonding in NO, (NO)[2], (NO)[2]{-} and (NO)[2]{2-} using a topological analysis of the electron localization function
Fuster Franck, Dezarnaud-Dandine Christine, Chevreau Hilaire, et al.
Phys. Chem. Chem. Phys., Vol: 6, No: 13
Internal rotation in thepara-difluorobenzene-nitrogen van der Waals complex
Schafer Martin
Phys. Chem. Chem. Phys., Vol: 6, No: 13
Ethyl p-tert-butylcalix(4)arene ethanoate: The role of acetonitrile in the extraction of alkali-metal picrates and on the X-ray structures of the sodium complexes
Danil de Namor Angela F., Pugliese Maria A., Casal Alberto R., et al.
Phys. Chem. Chem. Phys., Vol: 6, No: 13
Reconsidering Cas-Parrinello molecular dynamics using direct propagation of molecular orbitals developed upon Gaussian type atomic orbitals
Raynaud Christophe, Maron Laurent, Daudey Jean-Pierre, et al.
Phys. Chem. Chem. Phys., Vol: 6, No: 17
Ab initio study of [Mg, nH[2]O]{-} reactive decay products: structure and stability of magnesium oxide and magnesium hydroxide water cluster anions [MgO, (n-1)H[2]O]{-}, [HMgOH,(n-1)H[2]O]{-} and [Mg(OH)[2],(n-2)H[2]O]{-}
Reinhard Bjorn M., Lagutschenkov Anita, Niedner-Schatteburg Gereon
Phys. Chem. Chem. Phys., Vol: 6, No: 17
Structures and binding energies of O[2]{-}XH[2]O and O[2]XH[2]O
Bell A.J., Wright T.G.
Phys. Chem. Chem. Phys., Vol: 6, No: 18
Structure of the tripeptide model Ac-Val-Tyr(Me)-NHMe and its cluster with water investigated by IR/UV double resonance spectroscopy
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Phys. Chem. Chem. Phys., Vol: 6, No: 19
A theoretical study of the reactions of parent and substituted Criegee intermediates with water and the water dimer
Ryzhkov Andrew B., Ariya Parisa A.
Phys. Chem. Chem. Phys., Vol: 6, No: 21
Ab initio study of the fluoride-ammonia clusters: F{-}-(NH[3])[n], n = 1-3
Wild D.A., Lenzer T.
Phys. Chem. Chem. Phys., Vol: 6, No: 22
Indium(III) hydration in aqueous solutions of perchlorate, nitrate and sulfate. Raman and infrared spectroscopic studies and ab-initio molecular orbital calculations of indium(III)-water clusters
Rudolph Wolfram W., Fischer Dieter, Tomney Madelaine R., et al.
Phys. Chem. Chem. Phys., Vol: 6, No: 22
A combined experimental/theoretical investigation of the He + ICl interactions: determination ofthe binding energies of the T-shaped and linear He×××I{35}Cl(X, ν`` = 0) conformers
Boucher David S., Darr Joshua P., Bradke Matthew D., et al.
Phys. Chem. Chem. Phys., Vol: 6, No: 23
The dihydrogen bond in X[3]C-H×××H-M complexes (X = F, Cl, Br; M = Li, Na, K). A correlated quantum chemical ab initio and density functional theory study
Zierkiewicz Wiktor, Hobza Pavel
Phys. Chem. Chem. Phys., Vol: 6, No: 23
Raman study of crystalline solvates between glymes CH[3](OCH[2]CH[2])[n]OCH[3] (n = 1, 2 and 3)
Grondin Joseph, Talaga David, Lassegues Jean-Claude, et al.
Phys. Chem. Chem. Phys., Vol: 6, No: 5
Cluster anions: Structure, interactions, and dynamics in the sub-nanoscale regime
Sanov Andrei, Lineberger W. Carl
Phys. Chem. Chem. Phys., Vol: 6, No: 9
Iotucak babds if didecabyckear cinoiybds G[4]PVMo[11]O[40]×yH[2]O with Keggin structure. Semiclassical vibronic model
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Phys. Chem. Chem. Phys., Vol: 6, No: 9
Comment on "Collapse of Single-Wall Carbon Nanotubes is Diameter Dependent"
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Mechanism of Interatomic Coulombic Decay in Clusters
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Giant magnetostriction of melt-spun Fe[85]Ga[15] ribbons
Liu Guo-Dong, Li Yang-Xian, Hu Hai-Ning, et al.
Acta phys. sin., Vol: 53, No: 9
The liquid structure of various nitriles and N,N-dimethylformamide studied by the X-ray diffraction method using a CCD detector
Katayama Misaki, Komori Kohei, Ozutsumi Kazuhiko, et al.
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Hydration of molecular anions with oxygen sites-a Monte Carlo study
Krienke Hartmut, Schmeer George
Z. phys. Chem., Vol: 218, No: 6
Геометpическая изомеpия комплексов Ni{2+}: исследование методом функционала плотности
Яценко А.В., Кудpявцев И.К., Захаpов М.А., Асланов Л.А.
Вестн. МГУ. Сер. 2, Vol: 45, No: 4
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Электpонное стpоение фуллеpенподобных молекул на основе TiO[2], SnO[2] и SnS[2]
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Синтез и стpуктуpа супpамолекуляpного аддукта кластеpного комплекса [Mo[3]S[4](H[2]O)[7]Cl[2]]{2+} с кукуpбитуpилом: {[Mo[3]S[4](H[2]O)[7]Cl[2]](C[36]H[36]N[24]O[12])}Cl[2]×10H[2]O
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Ж. структур. химии, Vol: 45, No: 5
Фоpмиpование кластеpов в детеpминиpованных и стохастических полях (01)
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Псевдопотенциальная модель непаpных взаимодействий в кластеpах H[3]O{+}(H[2]O)[n]Cl{-} на фоне теpмической флуктуации
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Механизм pеакции озона с бутеном-2
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Энеpгии кластеpов пpи ионном pаспылении металла
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Изв. вузов. Физ., Vol: 47, No: 3
Кластеpизация стохастически блуждающих частиц в потенциальных полях
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Комплексы аналогов каpбенов с основаниями Льюиса. Исследования методами матpичной ИК-спектpоскопии и квантовой химии
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Кинетика фоpмиpования ультpалегкой фpакции нейтpальных и заpяженных кластеpов в газодинамических потоках летательного аппаpата
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Construction of a picosecond time-resolved IR dip spectrometer for studying structures and dynamics of solvated clusters
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New insights into the Jahn-Teller effect through ab initio quantum-mechanical/molecular-mechanical molecular dynamics simulations of Cu{II} in water
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Investigation of the time characteristics of a pulsed flow of large rare gas clusters
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Abinitio calculation of excited states of GdOBr:Ce{3+}
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Ab initio treatment of magnesium water cluster anions [Mg,nH[2]O]{-}, n≤11
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Ab initio study of (H[2]O)[1,2]×HCl: accurate energetic and frequency shift of HCl
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Structure determination of gas phase aluminum oxide clusters
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Calculated OH-stretching and HOH-bending vibrational transitions in the water dimer
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First detection of molecular hydrate complexes in sulfuric acid aerosols
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Structural information lon alkali cation microhydration clusters from infrared spectra
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Phys. Chem. Chem. Phys., Vol: 5, No: 22
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Infrared spectroscopy of hydrated benzene cluster cations, [C[6]H[6]-(H[2]O)[n]]{+} (n=1-6): Structural changes upon photoionization and proton transfer reactions
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The epimerisation of 2-tetrahydropyranol catalysed by the tautomeric couples 2-pyridone/2-hydroxypyridine and formamide/formamidic acid as a model for the sugar`s mutarotation: a theoretical study
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Theory of absorption bands in molecular dimers: Interpolating between optical asymmetries
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Structural and Electronic Properties of Metal-Encapsulated Silicon Clusters in a Large Size Range
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Experimental Evidence for Interatomic Coulombic Decay in Ne Clusters
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Charge Transfer, Symmetry, and Dissipation in Donor-Acceptor Molecules
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Spatially Mapping the Spectral Density of a Single C[60] Molecule
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Phys. Rev. Lett., Vol: 91, No: 15
Spectroscopic Studies of Quantum Solvation in {4}He[N]-N[2]O Clusters
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Highly Charged Clusters of Fullerenes: Charge Mobility and Appearance Sizes
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Unbiased Global Optimization of Lennard-Jones Clusters for N<=201 Using the Conformational Space Annealing Method
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J-Агрегация цианиновых красителей в желатиновых растворах и матрицах
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Синтез о- и м-каpбоpанзамещенных поpфиpинов пpиpодного типа
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Строение лигандной и сольватной оболочек гигантского кластера Pd[561]Phen[60](OAc)[180]
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Анализ межатомного пpостpанства в стpуктуpе жидкого цезия
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Стpуктуpа водоpодно-связанных кластеpов в суб- и свеpхкpитическом метаноле
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Distribution and evolution of electrons in a cluster plasma created by a laser pulse
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Структурно нежесткие молекулярные комплексы (HF)[n](H[2]O)[m] (n+m≥2) и их спектроскопические особенности
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Долгоживущая фосфоресценция комплекса нафталин-β-циклодекстрин-адамантан при комнатной температуре в присутствии кислорода
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Теоретическое исследование влияния разупорядоченности дипольных моментов перехода молекул на форму оптических полос молекулярных агрегатов
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Межкластерные взаимодействия в наносистемах
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Design, synthesis, structure, and spectroscopic and electrochemical properties of phthalocyanines
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A new, fast, semi-direct implementation of linear scaling local coupled cluster theory
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Microwave rotational spectroscopic investigation of the Ar[2]-NH[3] van der Waals trimer
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Intermolecular interactions of the CX[3]OCHO dimers, and complexes CX[3]OCHO-n(H[2]O), CX[3]OCHO-n(HO[2]) (X=H, F; n=1, 2)
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Conformational changes of an oxovanadium complex probed by ENDOR spectroscopy and DFT calculations
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Quantum mechanics of molecular oxygen clusters: rotovibrational dimer dynamics from realistic potential energy surfaces
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The effect of hydrogen bonding on the thermodynamic and spectroscopic properties of molecular clusters and liquids
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A study on the anisole-carbon dioxide van der Waals complex by high resolution electronic spectroscopy
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Microwave spectrum and structure of the oxirane-krypton van der Waals complex
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Ground-state geometries and optical properties of Na[8-x]Li[x] (x = 0-8) clusters
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Photoelectron spectroscopy of sodium iodide clusters containing single hydroxyl ions or water molecules
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Laser disintegration of Van der Waals clusters of carbon-containing molecules
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Predicted infrared and Raman spectra for neutral Ti[8]C[12] isomers
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Structure Determination of Gas-Phase Niobium and Tantalum Carbide Nanocrystals via Infrared Spectroscopy
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Direct Experimental Evidence for a Negative Heat Capacity in the Liquid-to-Gas Phase Transition in Hydrogen Cluster Ions: Backbending of the Caloric Curve
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Изучение молекулярной агрегации в жидком диметилсульфоксиде по спектрам комбинационного рассеяния
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Бурылин Е.И., Веселов А.А., Веселов А.Г. и др.
Письма в ЖТФ, Vol: 26, No: 7
Особенности строения и энергии малых кластеров воды
Дроздов С.В., Востриков А.А.
Письма в ЖТФ, Vol: 26, No: 9
Эволюция больших кластеров под действием ультракороткого сверхмощного лазерного импульса
Крайнов В.П., Сирнов М.Б.
Успехи физ. наук, Vol: 170, No: 9
Сульфидно-кадмиевые кластеры, моделирующие стабилизированные тиолами комплексы с неорганическими остовами
Гурин В.С.
Хим. физ., Vol: 19, No: 8
Реакционная способность борсодержащих кластеров карборана C[2]B[4]H[6]
Слуцкий В.Г., Цыганов С.А., Северин Е.С., Поленов Л.А.
Хим. физ., Vol: 19, No: 9
Ab initio study of MAr+n(M = Cu, Ag, and Au, n = 1–3)
Xin-Ying Li, Xue Cao and Yongfang Zhao
J. Phys. B: At. Mol. Opt. Phys., Vol: 42, No: 6 , 2009
The local structure of small water clusters: imprints on the core-level photoelectron spectrum
M Abu-samha, K J Børve, M Winkler, J Harnes, L J Sæthre, A Lindblad, H Bergersen, G Öhrwall, O Björneholm and S Svensson
J. Phys. B: At. Mol. Opt. Phys., Vol: 42, No: 6 , 2009
Ionization and fragmentation of water clusters by fast highly charged ions
L Adoui, A Cassimi, B Gervais, J-P Grandin, L Guillaume, R Maisonny, S Legendre, M Tarisien, P López-Tarifa, M-F Politis, M-A Hervé du Penhoat, R Vuilleumier, M-P Gaigeot, I Tavernelli, M Alcamí and F Martín
J. Phys. B: At. Mol. Opt. Phys., Vol: 42, No: 7 , 2009