www.viniti.ru Всероссийский Институт Научной и Технической Информации
 

База данных PEIS-V больше не обновляется с 1 июня 2018г.

The PEIS-V database is no longer updated from June 1, 2018


Physics Electronic Information Service by VINITI

PEIS-V | Help

   Atoms and molecules.
      Geometry, rotation and vibration of molecules.
         Vibration of molecules and other motion of nuclei in molecules.
            Intramolecular dynamic.
A perspective for investigating photo-induced molecular dynamics from within with femtosecond free electron lasers
Nora Berrah
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Accelerating direct quantum dynamics using graphical processing units
T. J. Penfold
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 14 August 2017
Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods
Deping Hu, Yan Fang Liu, Andrzej L. Sobolewski and Zhenggang Lan
Phys. Chem. Chem. Phys., Vol: 19, No: 29 , published: 07 August 2017
Electronic structure and time-dependent description of rotational predissociation of LiH
P. Jasik, J. E. Sienkiewicz, J. Domsta and N. E. Henriksen
Phys. Chem. Chem. Phys., Vol: 19, No: 30 , published: 17 May 2017
Fast and slow excited-state intramolecular proton transfer in 3-hydroxychromone: a two-state story?
Aurelie Perveaux, Maxime Lorphelin, Benjamin Lasorne and David Lauvergnat
Phys. Chem. Chem. Phys., Vol: 19, No: 9 , published: 07 March 2017
Nonadiabatic photodynamics and UV absorption spectrum of all-trans-octatetraene
Igor Lyskov, Horst Köppel and Christel M. Marian
Phys. Chem. Chem. Phys., Vol: 19, No: 5 , published: 07 February 2017
Ultrafast excited-state dynamics of isocytosine
Rafał Szabla, Robert W. Góra and Jiří Šponer
Phys. Chem. Chem. Phys., Vol: 18, No: 30 , published: 14 August 2016
Stretching and bending dynamics in triatomic ultralong-range Rydberg molecules
Christian Fey, Markus Kurz, and Peter Schmelcher
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 94, No: 1 , published: 28 July 2016
Solvent sensitive intramolecular charge transfer dynamics in the excited states of 4-N,N-dimethylamino-4′-nitrobiphenyl
Rajib Ghosh, Amitabha Nandi and Dipak K. Palit
Phys. Chem. Chem. Phys., Vol: 18, No: 11 , published: 21 March 2016
Quantum theory of concerted electronic and nuclear fluxes associated with adiabatic intramolecular processes
Timm Bredtmann, Dennis J. Diestler, Si-Dian Li, Jörn Manz, Jhon Fredy Pérez-Torres, Wen-Juan Tian, Yan-Bo Wu, Yonggang Yang and Hua-Jin Zhai
Phys. Chem. Chem. Phys., Vol: 17, No: 44 , published: 28 November 2015
Inverse internal conversion in C4 below the electron detachment threshold
Naoko Kono, Takeshi Furukawa, Hajime Tanuma, Jun Matsumoto, Haruo Shiromaru, Toshiyuki Azuma, Kaveh Najafian, Maria Susanne Pettersson, Bertil Dynefors and Klavs Hansen
Phys. Chem. Chem. Phys., Vol: 17, No: 38 , published: 14 October 2015
Траекторный анализ вращательной динамики молекул
Петров С.В., Локштанов С.Е.
Ж. эксперим. и теор. физ., Vol: 148, No: 2 , published: 01 August 2015
Ultrafast vibrational and structural dynamics of dimeric cyclopentadienyliron dicarbonyl examined by infrared spectroscopy
Fan Yang, Pengyun Yu, Juan Zhao, Jipei Shi and Jianping Wang
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Excited state dynamics of thiophene and bithiophene: new insights into theoretically challenging systems
Antonio Prlj, Basile F. E. Curchod and Clémence Corminboeuf
Phys. Chem. Chem. Phys., Vol: 17, No: 22 , published: 14 June 2015
Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: an ab initio molecular dynamics study
Philippe Carbonniere, Claude Pouchan and Roberto Improta
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
Simultaneous DNP enhancements of 1H and 13C nuclei: theory and experiments
Daphna Shimon, Yonatan Hovav, Ilia Kaminker, Akiva Feintuch, Daniella Goldfarb and Shimon Vega
Phys. Chem. Chem. Phys., Vol: 17, No: 17 , published: 07 May 2015
Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations
Shu-Hua Xia, Bin-Bin Xie, Qiu Fang, Ganglong Cui and Walter Thiel
Phys. Chem. Chem. Phys., Vol: 17, No: 15 , published: 21 April 2015
Fundamental frequency from classical molecular dynamics
Tomonori Yamada and Misako Aida
Phys. Chem. Chem. Phys., Vol: 17, No: 5 , published: 07 February 2015
Mechanism of the S1 excited state internal conversion in vitamin B12
Piotr Lodowski, Maria Jaworska, Tadeusz Andruniów, Brady D. Garabato and Pawel M. Kozlowski
Phys. Chem. Chem. Phys., Vol: 16, No: 35 , published: 21 September 2014
Intramolecular Interactions of Trityl Groups
Jacek Ściebura, Agnieszka Janiak, Agata Stasiowska, Jakub Grajewski, Krystyna Gawrońska,  Urszula Rychlewska,  Jacek Gawroński
ChemPhysChem., Vol: 15, No: 8 , published: 01 June 2014
Order and Conformation of Biphenyl in Cyanobiphenyl Liquid Crystals: A Combined Atomistic Molecular Dynamics and 1H NMR Study
Antonio Pizzirusso, Maria Enrica Di Pietro, Giuseppina De Luca, Giorgio Celebre, Marcello Longeri, Luca Muccioli, Claudio Zannoni
ChemPhysChem., Vol: 15, No: 7 , published: 19 May 2014
Ultrafast excited-state dynamics in a prototype of the peptide bond: Internal conversion of the isolated N,N-dimethylformamide
Xuejun Qiu, Zhonghua Ding, Yanqi Xu, Yanmei Wang, and Bing Zhang
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 89, No: 3 , published: 06 March 2014
The Non-Ergodic Nature of Internal Conversion
Theis I. Sølling, Thomas S. Kuhlman, Anne B. Stephansen, Liv B. Klein, Klaus B. Møller
ChemPhysChem., Vol: 15, No: 2 , published: 03 February 2014
Excited state dynamics of β-carotene studied by means of transient absorption spectroscopy and multivariate curve resolution alternating least-squares analysis
Silvije Vdović, Yingying Wang, Boxuan Li, Meng Qiu, Xuefei Wang, Qianjin Guo, Andong Xia
Phys. Chem. Chem. Phys., Vol: 15, No: 46 , published: 14 December 2013
Excited-State Dynamics of the 2-Methylallyl Radical
Jörg Herterich, Thiemo Gerbich, Ingo Fischer
ChemPhysChem., Vol: 14, No: 17 , published: 02 December 2013
Intramolecular energy transfer, entanglement, and decoherence in molecular systems
Liangjun Zhai (翟良君) and Yujun Zheng (郑雨军)
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 88, No: 1 , published: 08 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
Theoretical spectroscopy using molecular dynamics: theory and application to CH5+ and its isotopologues
Sergei D. Ivanov, Alexander Witt and Dominik Marx
Phys. Chem. Chem. Phys., Vol: 15, No: 25 , published: 07 July 2013
Ultrafast dynamics in iron tetracarbonyl olefin complexes investigated with two-dimensional vibrational spectroscopy
Matthijs R. Panman, Arthur C. Newton, Jannie Vos, Bart van den Bosch, Vladica Bocokić, Joost N. H. Reek, Sander Woutersen
Phys. Chem. Chem. Phys., Vol: 15, No: 4 , published: 28 January 2013
Three Modes of Proton Transfer in One Chromophore: Photoinduced Tautomerization in 2-(1H-Pyrazol-5-yl)Pyridines, Their Dimers and Alcohol Complexes
Volha Vetokhina, Krzysztof Dobek, Michał Kijak, Izabela I. Kamińska, Keven Muller, Werner R. Thiel, Jacek Waluk, Jerzy Herbich
ChemPhysChem., Vol: 13, No: 16 , published: 12 November 2012
Theoretical insight into the aggregation induced emission phenomena of diphenyldibenzofulvene: a nonadiabatic molecular dynamics study
Xing Gao, Qian Peng, Yingli Niu, Dong Wang, Zhigang Shuai
Phys. Chem. Chem. Phys., Vol: 14, No: 41 , published: 07 November 2012
The microwave spectrum of neurotransmitter serotonin
Carlos Cabezas, Marcelino Varela, Isabel Peña, Juan C. López, José L. Alonso
Phys. Chem. Chem. Phys., Vol: 14, No: 39 , published: 21 October 2012
Внутримолекулярное перераспределение колебательной энергии: от спектров высокого разрешения к динамике в реальном времени
А.А. Макаров, А.Л. Малиновский, Е.А. Рябов
Успехи физ. наук, Vol: 182, No: 10 , published: 01 October 2012
Functionalized fullerene cations {R–C60}+ from a theoretical point of view
Andrey Yu. Rogachev, Alexander S. Filatov, Marina A. Petrukhina
Phys. Chem. Chem. Phys., Vol: 14, No: 31 , published: 21 August 2012
Spectral multitude and spectral dynamics reflect changing conjugation length in single molecules of oligophenylenevinylenes
Hiroyuki Kobayashi, Kousuke Tsuchiya, Kenji Ogino, Martin Vacha
Phys. Chem. Chem. Phys., Vol: 14, No: 29 , published: 07 August 2012
The role of hydrogen bonding in excited state intramolecular charge transfer
Francis A. S. Chipem, Anasuya Mishra and G. Krishnamoorthy
Phys. Chem. Chem. Phys., Vol: 14, No: 25 , published: 07 July 2012
Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state
Min-Wen Chung, Jia-Ling Liao, Kuo-Chun Tang, Cheng-Chih Hsieh, Tsung-Yi Lin, Chun Liu, Gene-Hsiang Lee, Yun Chi and Pi-Tai Chou
Phys. Chem. Chem. Phys., Vol: 14, No: 25 , published: 07 July 2012
The effect of hydrogen bonding on the excited-state proton transfer in 2-(2′-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study
Nawee Kungwan, Felix Plasser, Adélia J. A. Aquino, Mario Barbatti, Peter Wolschann and Hans Lischka
Phys. Chem. Chem. Phys., Vol: 14, No: 25 , published: 07 July 2012
Excited state intramolecular proton transfer (ESIPT): from principal photophysics to the development of new chromophores and applications in fluorescent molecular probes and luminescent materials
Jianzhang Zhao, Shaomin Ji, Yinghui Chen, Huimin Guo and Pei Yang
Phys. Chem. Chem. Phys., Vol: 14, No: 25 , published: 07 July 2012
Strategic emission color tuning of highly fluorescent imidazole-based excited-state intramolecular proton transfer molecules
Sanghyuk Park, Ji Eon Kwon and Soo Young Park
Phys. Chem. Chem. Phys., Vol: 14, No: 25 , published: 07 July 2012
Conformational Distributions of N-Acetyl-L-cysteine in Aqueous Solutions: A Combined Implicit and Explicit Solvation Treatment of VA and VCD Spectra
Mohammad Reza Poopari, Zahra Dezhahang,  Guochun Yang,  Dr. Yunjie Xu
ChemPhysChem., Vol: 13, No: 9 , published: 18 June 2012
Spiral Intramolecular Charge Transfer and Large First Hyperpolarizability in Möbius Cyclacenes: New Insight into the Localized π Electrons
Rong-Lin Zhong,  Hong-Liang Xu,  Zhong-Min Su,  Zhi-Ru Li,  Shi-Ling Sun, Yong-Qing Qiu
ChemPhysChem., Vol: 13, No: 9 , published: 18 June 2012
Conformational dynamics of di-(perylene bisimide acrylate) and its footprints in steady-state, time-resolved, and fluorescence-correlation spectroscopy
Florian Spreitler, Michael Sommer, Mukundan Thelakkat and Jürgen Köhler
Phys. Chem. Chem. Phys., Vol: 14, No: 22 , published: 14 June 2012
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
Improving anharmonic infrared spectra using semiclassically prepared molecular dynamics simulations
Nguyen-Thi Van-Oanh, Cyril Falvo, Florent Calvo, David Lauvergnat, Marie Basire, Marie-Pierre Gaigeot, Pascal Parneix
Phys. Chem. Chem. Phys., Vol: 14, No: 7 , published: 21 February 2012
Polymer matrix dependence of conformational dynamics within a π-stacked perylenediimide dimer and trimer revealed by single molecule fluorescence spectroscopy
Hyejin Yoo, Hee Won Bahng, Michael R. Wasielewski and Dongho Kim
Phys. Chem. Chem. Phys., Vol: 14, No: 6 , published: 14 February 2012
Effect of ring torsion on intramolecular vibrational redistribution dynamics of 1,1′-binaphthyl and 2,2′-binaphthyl
Nam Ki Lee, Soonyong Park, Myung-Han Yoon, Zee Hwan Kim and Seong Keun Kim
Phys. Chem. Chem. Phys., Vol: 14, No: 2 , published: 26 January 2012
Rotational Spectrum and Internal Dynamics of Tetrahydrofuran–Krypton
Qian Gou, Gang Feng,  Luca Evangelisti,  Assimo Maris, Marianna Marchini,  Biagio Velino,  Walther Caminati
ChemPhysChem., Vol: 13, No: 1 , published: 16 January 2012
Structure of (O→Si)-(acetoxymethyl)trifluorosilane in three phase states and in solutions
N. N. Chipanina, T. N. Aksamentova, G. A. Gavrilova, L. P. Oznobikhina, N. F. Lazareva
Ж. общ. химии, Vol: 81, No: 12 , published: 01 December 2011
NMR spectroscopy on heavy nuclei of transition metal complexes. The role of polarization effect
A. N. Egorochkin, O. V. Kuznetsova, N. M. Khamaletdinova, Yu. A. Kurskii
Ж. общ. химии, Vol: 81, No: 12 , published: 01 December 2011
Time-resolved photoelectron spectroscopy: from wavepackets to observables
Guorong Wu, Paul Hockett and Albert Stolow
Phys. Chem. Chem. Phys., Vol: 13, No: 41 , published: 13 November 2011
Impact of tunneling on hydrogen-migration of the n-propylperoxy radical
Feng Zhang and Theodore S. Dibble
Phys. Chem. Chem. Phys., Vol: 13, No: 40 , published: 06 November 2011
An intramolecular charge/electron transfer chemiluminescence mechanism of oxidophenyl-substituted 1,2-dioxetane
Chizuko Tanaka, Jiro Tanaka and Masakatsu Matsumoto
Phys. Chem. Chem. Phys., Vol: 13, No: 35 , published: 20 October 2011
Spectral and intramolecular charge transfer properties in terminal donor/acceptor-substituted all-trans-α,ω-diphenylpolyenes and α,ω-diphenylpolyynes
Xiaonan Ma, Linyin Yan, Xuefei Wang, Qianjin Guo and Andong Xia
Phys. Chem. Chem. Phys., Vol: 13, No: 38 , published: 14 October 2011
Dynamics of the intermolecular hydrogen bonds in the polymorphs of paracetamol in relation to crystal packing and conformational transitions: a variable-temperature polarized Raman spectroscopy study
Boris A. Kolesov, Mikhail A. Mikhailenko and Elena V. Boldyreva
Phys. Chem. Chem. Phys., Vol: 13, No: 31 , published: 01 September 2011
A non-adiabatic quantum-classical dynamics study of the intramolecular excited state hydrogen transfer in ortho-nitrobenzaldehyde
Verónica Leyva, Inés Corral, Ferran Feixas, Annapaola Migani, Lluís Blancafort, Jesús González-Vázquez, Leticia González
Phys. Chem. Chem. Phys., Vol: 13, No: 32 , published: 28 August 2011
Molecular dynamics simulation study on the isomerization and molecular orientation of liquid crystals formed by azobenzene and (1-cyclohexenyl)phenyldiazene
Xiang-Gui Xue, Li Zhao, Zhong-Yuan Lu, Ming-Hui Li and Ze-Sheng Li
Phys. Chem. Chem. Phys., Vol: 13, No: 25 , published: 07 July 2011
Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond
Marcus Böckmann, Dominik Marx, Christine Peter, et al.
Phys. Chem. Chem. Phys., Vol: 13, No: 17 , published: 06 May 2011
Temperature Dependence of Structure and Dynamic Properties of Oleic Acid γ and α Phases Studied by FTIR Spectroscopy
Fuwei Pi, Fumitoshi Kaneko, Hideyuki Shinzawa, Masao Suzuki, Makio Iwahashi and Yukihiro Ozaki
Bull. Chem. Soc. Jpn., Vol: 84, No: 4 , published: 13 April 2011
Exploring dynamical electron theory beyond the Born–Oppenheimer framework: from chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under laser field
Takatsuka Kazuo, Yonehara Takehiro
Phys. Chem. Chem. Phys., Vol: 13, No: 11 , published: 18 March 2011
Internal dynamics in complexes of water with organic molecules. Details of the internal motions in tert-butyalcohol-water
Evangelisti Luca, Caminati Walther
Phys. Chem. Chem. Phys., Vol: 12, No: 43 , published: 12 November 2010
Molecular origin and hydration dependence of protein anharmonicity: an elastic neutron scattering study
Schiro Giorgio, Caronna Chiara, Natali Francesca, Cupane Antonio
Phys. Chem. Chem. Phys., Vol: 12, No: 35 , published: 17 September 2010
Исследование методом молекулярной динамики структурных и термодинамических свойств воды
Неверов В.С./Комолкин А.В.
Хим. физ., Vol: 29, No: 3 , published: 07 September 2010
Vibrational dynamics around the conical intersection: a study of methoxy vibrations on the X2E surface
Nagesh Jayashree/Sibert Edwin L.
Phys. Chem. Chem. Phys., Vol: 12, No: 29 , published: 16 July 2010
Molecular dynamic simulations of OH-stretching overtone induced photodissociation of fluorosulfonic and chlorosulfonic acid
Gupta Priyanka/Lane Joseph R./Kjaergaard Henrik G.
Phys. Chem. Chem. Phys., Vol: 12, No: 29 , published: 16 July 2010
Классификация состояний нежестких молекулярных систем с непрерывными аксиальными группами симметрии
Буренин А.В.
Оптика и спектроскопия, Vol: 109, No: 6 , published: 29 June 2010
Molecular dynamics simulations of N,N,N,N-tetramethylammonium dicyanamide plastic crystal and liquid using a polarizable force field
Hooper Justin B./Borodin Oleg
Phys. Chem. Chem. Phys., Vol: 12, No: 18 , published: 30 April 2010
Sodium bis(2-ethylhexyl)sulfosuccinate self-aggregation in vacuo: molecular dynamics simulation
Longhi Giovanna/Fornili Sandro L./Liveri Vincenzo Turco/et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 18 , published: 30 April 2010
Геометрия внутренней динамики карбокатиона 12C13CH3+
Буренин А.В.
Оптика и спектроскопия, Vol: 108, No: 3 , published: 31 March 2010
О значении приближения Борна-Оппенгеймера во внутримолекулярной динамике
Буренин А.В.
Успехи физ. наук, Vol: 180, No: 7 , published: 21 February 2010
Probing the vibrational dynamics of high-lying electronic states using pump-degenerate four-wave mixing
Jörg Liebers, Abraham Scaria, Arnulf Materny and Ulrich Kleinekathöfer
Phys. Chem. Chem. Phys., Vol: 12, No: 6 , published: 05 February 2010
Proton transfer reactions and dynamics in CH3OH—H3O+—H2O complexes
Sagarik Kritsana/Chaiwongwattana Sermsiri/Vchirawongkwin Viwat/Prueksaaroon Supakit
Phys. Chem. Chem. Phys., Vol: 12, No: 4 , published: 22 January 2010
Proton transfer in functionalized phosphonic acid molecules
Wang Chen/Paddison Stephen J.
Phys. Chem. Chem. Phys., Vol: 12, No: 4 , published: 22 January 2010
Pseudorotation in pyrrolidine: rotational coherence spectroscopy and ab initio calulations of a large amplitude intramolecular motion
Kunitski Maksim/Riehn Christoph/Matylitsky Victor V./et al.
Phys. Chem. Chem. Phys., Vol: 12, No: 1 , published: 01 January 2010
О геометрии внутренней динамики карбокатиона C[2]H{+}[3]
Буренин А.В.
Оптика и спектроскопия, Vol: 106, No: 5 , published: 24 December 2009
Работы А.А. Овчинникова по нелинейной динамике и их развитие
Астахова Т.Ю./Лихачев В.Н./Эрихман Н.С./Виноградов Г.А.
Хим. физ., Vol: 28, No: 3 , published: 16 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
Численное моделирование внутримолекулярной динамики при фотоизомеризации
Морозов В.А.
Хим. физ., Vol: 28, No: 1 , published: 22 October 2009
Scattering of Yb and Yb+
Peng Zhang, Alex Dalgarno, and Robin Côté
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 80, No: 3 , published: 28 September 2009
Dependence of A-RNA simulations on the choice of the force field and saflt strenth
Besseova Ivana/Otyepka Michal/Reblova Kamila/Sponer Jiri
Phys. Chem. Chem. Phys., Vol: 11, No: 45 , published: 10 September 2009
Quantum dynamics of light-driven chiral molecular motors
Yamaki Masahiro/Nakayama Shin-ichiro/Hoki Kumihito/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 11 , published: 05 August 2009
Quantum tunneling dynamics using entangled trajectories: general potenitals
Wang Ashu/Zheng Yujun/Martens Craig C./Ren Weiyi
Phys. Chem. Chem. Phys., Vol: 11, No: 10 , published: 05 August 2009
Classical, quantum and statistical simulations of vibrationally excited HOSO2: IVR, dissociation, and implications for OH + SO2 kinetics at high pressures
Glowacki David R./Reed Stewart K./Pilling Michael J./et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 6 , published: 05 August 2009
Nuclear Dynamics in Polyatomic Molecules and High-Order Harmonic Generation
Serguei Patchkovskii
Phys. Rev. Lett., Vol: 102, No: 25 , published: 26 June 2009
Об определении внутримолекулярных движений
Буренин А.В.
Оптика и спектроскопия, Vol: 107, No: 5 , published: 21 May 2009
Effective force coarse-graining
Wang Yanting/Noid W.G./Liu Pu/Voth Gregory A.
Phys. Chem. Chem. Phys., Vol: 11, No: 12 , published: 19 May 2009
Molecular mechanics force field-based map for peptide amide-I mode in solution and its application to alanine di- and tripeptides
Cai Kaicong/Han Chen/Wang Jianping
Phys. Chem. Chem. Phys., Vol: 11, No: 40 , published: 17 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 multistate empirical valence bond model for solvation and transport simulations of OH-  in aqueous solutions
Ufimtsev Ivan S./Kalinichev Andrey G./Martinez Todd J./Kirkpatrick R. James
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
Изменение вторичной структуры белка HMGB1 при связывании с ДНК
Родионова Т.Ю./Чихиржина Е.В./Воробьев В.И./Поляничко А.М.
Ж. структур. химии, Vol: 50, No: 5 , published: 05 May 2009
Nonadiabaticity and large fluctuations in a many-particle Landau-Zener problem
Alexander Altland, V. Gurarie, T. Kriecherbauer, and A. Polkovnikov
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 79, No: 4 , published: 02 April 2009
Особенности межлигандного переноса энергии в мезогенном аддукте европия(III)
Лапаев Д.В./Никифоров В.Г./Сафиуллин Г.М./и др.
Ж. структур. химии, Vol: 50, No: 4 , published: 19 March 2009
First-principles semiclassical initial value representation molecular dynamics
Ceotto Michele/Atahan Sule/Shim Sangwoo/et al.
Phys. Chem. Chem. Phys., Vol: 11, No: 20 , published: 16 January 2009
Langevin Equation with Colored Noise for Constant-Temperature Molecular Dynamics Simulations
Michele Ceriotti, Giovanni Bussi, and Michele Parrinello
Phys. Rev. Lett., Vol: 102, No: 2 , published: 14 January 2009
A "surface" model for the treatment of local vibrations in macromolecular systems
Schmidt Parbury
Z. phys. Chem., Vol: 222, No: 5-6 , published: 19 November 2008
Mechanisms of double proton transfer. Theory and applications
Smedarchina Z./Siebrand W./Fernandez-Ramos A./Meana-Paneda R.
Z. phys. Chem., Vol: 222, No: 8-9 , published: 29 October 2008
DFT study of proton dynamics in the potassium hydrogen maleate crystal: the infrared versus the inelastic neutron scattering spectra
Vener M.V./Manaev A.V./Hadzi D.D./Tsirelson V.G.
Z. phys. Chem., Vol: 222, No: 8-9 , published: 29 October 2008
Волновые движения атомов в молекулярных наноструктурах
Грибов Л.А./Прокофьева Н.И.
Ж. структур. химии, Vol: 49, No: 4 , published: 25 September 2008
Симметрия молекулы во внешнем поле
Буренин А.В.
Оптика и спектроскопия, Vol: 105, No: 2 , published: 23 August 2008
Численное моделирование внутримолекулярной динамики при двухполосной флуоресценции
Морозов В.А.
Оптика и спектроскопия, Vol: 105, No: 2 , published: 23 August 2008
A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian
Sardar Subhankar/Paul Amit Kumar/Mondal Padmabati/et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 42 , published: 09 June 2008
A proton between two waters: insight from full-dimensional quantum-dynamics simulations of the [H2O–H–OH2]+cluster
Vendrell Oriol/Meyer Hans-Dieter
Phys. Chem. Chem. Phys., Vol: 10, No: 32 , published: 09 June 2008
Implementation of an iterative algorithm for optimal control of molecular dynamics into MCTDH
Schr~:oder Markus/Carreon-Macedo Jose-Luis/Brown Alex
Phys. Chem. Chem. Phys., Vol: 10, No: 6 , published: 09 June 2008
Time-series analysis of vibrational nuclear wave-packet dynamics in D2+
Uwe Thumm, Thomas Niederhausen, and Bernold Feuerstein
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 77, No: 6 , published: 03 June 2008
Aqueous solutions of ionic liquids: study of the solution/vapor interface using molecular dynamics simulations
Picalek Jan/Minofar Babak/Kolafa Jiri/Jungwirth Pavel
Phys. Chem. Chem. Phys., Vol: 10, No: 37 , published: 20 May 2008
Unfolding and melting of DNA (RNA) hairpins: the concept of structure-specific 2D dynamic landscapes
Lin Milo M./Meinhold Lars/Shorokhov Dmitry/Zewail Ahmed H.
Phys. Chem. Chem. Phys., Vol: 10, No: 29 , published: 20 May 2008
Room temperature ionic liquids containing low water concentrations — a molecular dynamics study
Porter Andrew R./Liem Steven Y./Popelier Paul L.A.
Phys. Chem. Chem. Phys., Vol: 10, No: 29 , published: 20 May 2008
Dynamical interrogation of the hydration cage of bromine in single crystal calthrate hydrates versus water
Goldschleger I.U./Kerenskaya G./Senekerimyan V./et al.
Phys. Chem. Chem. Phys., Vol: 10, No: 48 , published: 19 May 2008
Влияние диссипации на колебательную динамику в системе двух взаимодействующих электронных состояний
Глебов И.О./Еремин В.В.
Ж. физ. химии, Vol: 82, No: 4 , published: 19 April 2008
Molecular dynamics simulation of thermal unfolding of Thermatoga maritima DHFR
Pang Jiayun\Allemann Rudolf K.
Phys. Chem. Chem. Phys., Vol: 9, No: 6 , published: 11 April 2008
Size-dependent structural transformation of hematite nanoparticles. 1. Phase transition
Chernyshova I.V.\Hochella M.F., Jr.\Madden A.S.
Phys. Chem. Chem. Phys., Vol: 9, No: 14 , published: 10 April 2008
Моделирование внутримолекулярной динамики при импульсной фотоизомеризации
Дубина Ю.М.\Морозов В.А.
Хим. физ., Vol: 25, No: 7 , published: 01 April 2008
Picosecond IR-UV pump-probe spectroscopic study on the vibrational energy low in isolated molecules and clusters
Yamada Yuji\Katsumoto Yukiteru\Ebata Takayuki
Phys. Chem. Chem. Phys., Vol: 9, No: 10 , published: 01 April 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
Tunneling splitting and decay of metastable states in polyatomic molecules: invariant instanton theory
Mil'nikov Gennady/Nakamura Hiroki
Phys. Chem. Chem. Phys., Vol: 10, No: 10 , published: 10 March 2008
The kinetics and quantum dynamics of intramolecular rearrangements in highly symmetrical complexes: the berry pseudoratation
Merx Hendrik\Brickmann J~:urgen
Z. phys. Chem., Vol: 218, No: 1 , published: 09 February 2008
Simultaneous definition of high resolution protein structure and backbone conformational dynamics using NMR residual dipolar couplings
Bouvignies Guillaume\Markwick Phineus R.L.\Blackledge Martin
ChemPhysChem., Vol: 8, No: 13 , published: 03 February 2008
Молекулярно-динамическое моделирование мицеллярных агрегатов в водных растворах хлорида гексадецилтриметиламмония с добавками низкомолекулярных веществ
Ванин А.А.\Пиотровская Е.М.\Смирнова Н.А.
Ж. физ. химии, Vol: 81, No: 8 , published: 02 February 2008
Внутримолекулярная колебательная динамика пропина и его производных: роль колебательно-вращательного перемешивания
Малиновский А.Л./Макаров А.А./Рябов Е.А.
Ж. эксперим. и теор. физ., Vol: 133, No: 1 , published: 15 January 2008
A new photoisomerization process of the 4-cyanobutyl group in a cobaloxime complex crystal observed by neutron diffraction
Hosoya T.\Uekusa H.\Ohashi Y.\et al.
Bull. Chem. Soc. Jpn., Vol: 79, No: 5 , published: 28 December 2007
Волновая природа механизма протонной проводимости в активном центре карбоангидразы
Исаев А.Н.
Ж. физ. химии, Vol: 81, No: 6 , published: 23 December 2007
Описание торсионного движения тождественных волчков в молекулах диметилового эфира и ацетона
Буренин А.В.
Оптика и спектроскопия, Vol: 103, No: 6 , published: 03 December 2007
Локальная динамика в олигобутадиенах нерегулярного строения
Соловьев М.М./Соловьев М.Е./Туров Б.С.
Изв. вузов. Химия и хим. технол., Vol: 50, No: 11 , published: 24 November 2007
Second-harmonic generation for studying strucutral motion of biologial molecules in real time and space
Salafsky Joshua S.
Phys. Chem. Chem. Phys., Vol: 9, No: 42 , published: 16 November 2007
The effect of torsion angle on the rate of intramolecular triplet energy transfer
Benniston Andrew C.\Harriman Anthony\Pritesh Peiyi\et al.
Phys. Chem. Chem. Phys., Vol: 7, No: 21 , published: 30 October 2007
The electron transfer rate of large TPA based compounds: a joint theoretical and electrochemical approach
Esposti Alessandra Degli\Fattori Valeria\Sabatini Cristiana\et al.
Phys. Chem. Chem. Phys., Vol: 7, No: 21 , published: 30 October 2007
Внутренняя динамика молекул с линейным остовом и парой неэквивалентных волчков с тремя положениями равновесия
Буренина А.В.
Оптика и спектроскопия, Vol: 96, No: 3 , published: 25 October 2007
Димер CO_-CO как нежесткая молекулярная система
Буренин А.В.
Оптика и спектроскопия, Vol: 95, No: 2 , published: 15 October 2007
Excited-state dynamics and coupled proton-electon transfer of guanine
Langer Holger-Doltsinis Nikos L.\Marx Dominik
ChemPhysChem., Vol: 6, No: 9 , published: 14 October 2007
Accelerated, energy-conserving Born_-Oppenheimer molecular dynamics via Fock matrix extrapolation
Herbert John M.\Head-Gordon Martin
Phys. Chem. Chem. Phys., Vol: 7, No: 18 , published: 11 October 2007
Structure and dynamics of the [Zn(NH3)(H2O)5]2+ complex in aqueous solution obtained by an ab initio QM/MM molecular dynamics study
Qaiser Fatmi M.\Hofer Thomas S.\Randolf Bernhard R.\Rode Bernd M.
Phys. Chem. Chem. Phys., Vol: 8, No: 14 , published: 09 October 2007
Extremely strong solvent dependence of the S1S0 internal conversion lifetime of 12′-apo-β-caroten-12′-al
Wild Duncan A.\Winlker Kathrin\Stalke Sebastian\et al.
Phys. Chem. Chem. Phys., Vol: 8, No: 21 , published: 23 September 2007
Proton tunneling estimates for malonaldehyde vibrations from supersonic jet and matrix quenching experiments
Wassermann T.N.\Luckhaus D.\Coussan S.\Suhm M.A.
Phys. Chem. Chem. Phys., Vol: 8, No: 20 , published: 20 September 2007
Internal dynamics in organometallic molecules: rotational spectrum of (CH3)3GeCl
Schnell Melanie\Grabow Jens-Uwe
Phys. Chem. Chem. Phys., Vol: 8, No: 19 , published: 20 September 2007
Molecular dynamics of nanobubbles' collapse in ionic solutions
Lugli F.\Zerbetto F.
ChemPhysChem., Vol: 8, No: 1 , published: 06 September 2007
Исследование молекулы тетрапептида Ala_-Gly_-Asp-Pro с помощью расчетов методом молекулярной динамики
Рогачевский И.В.\Щеголев Б.Ф.\Крылов Б.В.
Ж. общ. химии, Vol: 74, No: 2 , published: 05 September 2007
Внутримолекулярный фотоперенос протона в салицилиденанилине и диарилгидразиде
Алдошин С.М.\Борденюк А.Н.\Рубцова Е.Т.\и др.
Хим. физ., Vol: 23, No: 5 , published: 01 August 2007
Моды движения вращающихся тримеров атомов аргона
Белега Е.Д.\Рыбаков А.А.\Трубников Д.Н.\Чуличков А.И.
Хим. физ., Vol: 23, No: 5 , published: 01 August 2007
Theoretical study of vitamin properties from combined QM/MM methods: comparison of chemical shifts and energy
Monajjemi M.\Heshmat M.\Haeri H.H.\Kaveh F.
Ж. физ. химии, Vol: 80, No: 7 , published: 31 July 2007
Трансляционная и вращательная динамика молекул диметилсульфоксида в чистом растворителе и в присутствии Li{+}
Чабан В.В.\Калугин О.Н.
Хим. физ., Vol: 25, No: 6 , published: 11 July 2007
Исследование геометрического строения молекулы тетрапептида эпиталона методом молекулярной динамики
Рогачевский И.В.\Щеголев Б.Ф.\Хавинсон В.Х.
Ж. общ. химии, Vol: 76, No: 5 , published: 08 July 2007
Molecular dynamics simulations of CN dynamics and spectroscopy in myoglobin
Danielsson J.\Meuwiy M.
ChemPhysChem., Vol: 8, No: 7 , published: 03 July 2007
Energy diffusion controlled reaction rate in dissipative Hamiltonian systems
Deng Mao-Lin\Zhu Wei-Qiu
Chin. Phys., Vol: 16, No: 6 , published: 01 June 2007
Взаимодействие хромофора, 11-цис-ретиналя, с аминокислотными остатками зрительного пигмента родопсина в области протонированного шиффова основания: компьютерное молекулярное моделирование
Холмуродов Х.Т.\Фельдман Т.Б.\Островский М.А.
Изв. РАН. Сер. хим., Vol: 2007, No: 1 , published: 01 January 2007
Изучение механизмов перегруппировки тиено_(3,2-e_)_(1,2,4_)триазоло_(4,3-c_)пиримидинов в тиено_(3,2-e_)_(1,2,4_)триазоло_(1,5-c_)пиримидины
Воробьев Е.В.\Клецкий М.Е.\Красников В.В.\и др.
Изв. РАН. Сер. хим., Vol: 2006, No: 12 , published: 01 January 2006
Unfolding dynamics of single collapsed DNA molecules
Murayama Yoshihiro\Wada Hirofumi\Ishida Ryo\Sano Masaki
Progr. Theor. Phys. Suppl., Vol: 2006, No: 165 , 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
Ion mode in the DNA low-frequency vibration spectra
Perepelytsya S.M./Volkov S.N.
Укр. фiз. ж., Vol: 49, No: 11 , published: 07 May 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
Molecular dynamics of acetophenone and its derivatives investigated by femtosecond optical Kerr effect spectroscopy and depolarized low-frequency Raman scattering
Wang Yan, Ushida Kiminori, Tominaga Yasunori, Kira Akira
Chem. Phys. Lett., Vol: 299, No: 6 , 1999
Chaotic enhancement in microwave ionization of Rydberg atoms
Benenti G., Casati G., Shepelyansky D.L.
Eur. Phys. J. D, Vol: 5, No: 3 , 1999
New studies of the unimolecular reaction NO[2]O+NO. High pressure range of the O+NO recombination between 200 and 400 K
Hippler H., Siefke M., Stark H., Troe J.
Phys. Chem. Chem. Phys., Vol: 1, No: 1 , 1999
New studies of the unimolecular reaction NO[2]O+NO. Part 2. Relation between high pressure rate constants and potential parameters
Harding L.B., Stark H., Troe J., Ushakov V.G.
Phys. Chem. Chem. Phys., Vol: 1, No: 1 , 1999
The thermal unimolecular decomposition rate constants of ethoxy rdicals
Caralp Rrancoise, Devolder Pascal, Fittschen Christa et al.
Phys. Chem. Chem. Phys., Vol: 1, No: 12 , 1999
Structural modelling of fluid ethane with Monte Carlo methods
Bassen A., Waldner I., Bertagnolli H.
Phys. Chem. Chem. Phys., Vol: 1, No: 5 , 1999
Glycerol condensed phases. Part I. A molecular dynamics study
Chelli Riccardo, Procacci Piero, Cardini Gianni et al.
Phys. Chem. Chem. Phys., Vol: 1, No: 5 , 1999
Glycerol condensed phases. Part II. A molecular dynamics study of the conformational structure and hydrogen bonding
Chelli Riccardo, Procacci Piero, Cardini Gianni, Califano Salvatore
Phys. Chem. Chem. Phys., Vol: 1, No: 5 , 1999
Unimolecular phase space theory rates by inversion of angular momentum-conserved partition function
Forst Wendell
Phys. Chem. Chem. Phys., Vol: 1, No: 6 , 1999
The kinetics of the H[2] (D[2]) loss from C[2]H[4]{+} (C[2]D[4]{+}) ions
Malow Marcus, Guthe Felix, Weitzel Karl-Michael
Phys. Chem. Chem. Phys., Vol: 1, No: 7 , 1999
Femtosecond dynamics of hydrogen migration and internal conversion in cycloheptatriene and derivatives studied by intense-field dissociative ionization
Trushin S.A., Diemer S., Fuss W. et al.
Phys. Chem. Chem. Phys., Vol: 1, No: 7 , 1999
Heterodyne measurement of vibrational wave packets of diatomic molecules
Zucchetti A., Vogel W., Welsch D.-G., Walmsley I. A.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 60, No: 4 , 1999
Method for enhanced sampling in the simulations of dynamical systems
Svishchev Igor M., Kusalik Peter G.
Phys. Rev. E: Stat. Nonlinear Soft Matter Phys., Vol: 59, No: 3 , 1999
Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods
Liwo A., Pillardy J., Kazmierkiewicz R. et al.
Theor. Chem. Accounts., Vol: 101, No: 1-3 , 1999
Molecular dynamics simulations of the isolated domain 1 of annexin I
Huynh T., Musat G., Neumann J.-M. et al.
Theor. Chem. Accounts., Vol: 101, No: 1-3 , 1999
Formulation of 3D-pharmacophore models for Bradykinin B[2]-receptor antagonists
Pineda L.F.
Z. phys. Chem., Vol: 209, No: 1 , 1999
GROMOS-MD simulations on biamphiphilic tetraol clusters
Friedemann R., Fengler A., Naumann S.
Z. phys. Chem., Vol: 209, No: 1 , 1999
Спектры релаксации жидкостей в теории связанных мод: сравнение с экспериментом в двухмодовом приближении
Голубятников В.П., Клещев А.Г., Малиновский В.К., Новиков В.Н.
Докл. РАН, Vol: 367, No: 5 , 1999
Молекулярная динамика и корреляция геометрии молекулы алюмофенилсилоксана с каталитической активностью при 273-373 K
Исаева Е.В., Немухин А.В., Колесников И.М. и др.
Ж. физ. химии, Vol: 73, No: 4 , 1999
Симметрия движения тождественных волчков в нежесткой молекуле аллена C[3]H[4]
Буренин А.В.
Оптика и спектроскопия, Vol: 86, No: 4 , 1999
О методе двух масштабов в задаче о возмущении одночастотного колебания
Ильин А.М.
Теор. и мат. физ., Vol: 118, No: 3 , 1999
Нелинейная динамика зигзагообразных молекулярных цепей
Савин А.В., Маневич Л.И., Христиансен П.Л., Золотарюк А.В.
Успехи физ. наук, Vol: 169, No: 3 , 1999
Качественная внутримолекулярная квантовая динамика
Буренин А.В.
Успехи физ. наук, Vol: 169, No: 6 , 1999
Динамика вращательного движения в спектроскопии сложных молекул в газовой фазе
Борисевич Н.А., Толкачев В.А., Блохин А.П., Поведайло В.А.
Весцi НАН Беларусi. Сер. фiз.-мат. н., Vol: 1998, No: 4 , published: 01 January 1998
Структурная саморегялция функционирующих макромолекул
Христофоров Л.Н.
Докл. АН Украины., Vol: 1998, No: 12 , published: 01 January 1998
Краунсодержащие стириловые красители. Сообщение 25. Использование молекулярной механики для изучения самосборки в димерные комплексы, регио- и стереоселективности катионзависимого [2+2]-фотоциклоприсоединения фотохромных краун-эфиров
Фрейдзон А.Я., Баскин И.И., Багатурьянц А.А., Громов С.П., Алфимов М.В.
Изв. РАН. Сер. хим., Vol: 1998, No: 11 , published: 01 January 1998
Infrared laser pulse controlled ultrafast H-atom switshing in two-dimensional assymetric souble well potentials
Doslic N., Kuhn O., Manz J.
Ber. Bunsen- Ges. phys. Chem, Vol: 102, No: 3 , 1998
Hydrogen transfer in the porphin anion. A quantum dynamical study of vibrational effect
Brackhagen O., Scheurer Ch., Meyer R., Limbach H.-H.
Ber. Bunsen- Ges. phys. Chem, Vol: 102, No: 3 , 1998
Proton dynamics and the tautomerization potential in benzoic acid crystals
Neumann M.A., Craciun S., Corval A., Johnson M.R., Horsewill A.J., Benderskii V.A., Trommsdorff H.P.
Ber. Bunsen- Ges. phys. Chem, Vol: 102, No: 3 , 1998
Coherent and incoherent dihydrogen in a ruthenium trihydride complex with the tris(pyrolly)phosphine ligand
Grundemann S., Limbach H.-H., Rodriquez V., Donnadieu B., Sabo-Etienne S., Chaudret B.
Ber. Bunsen- Ges. phys. Chem, Vol: 102, No: 3 , 1998
A new view of the quantum dynamics for proton transfer along hydrogen bonds: Vibrational spectroscopy with neutrons
Fillaux F., Nicolai B., Baron M.H., Lautie A., Tomkinson J., Kearley G.J.
Ber. Bunsen- Ges. phys. Chem, Vol: 102, No: 3 , 1998
Keto-enol tautomerism in the triplet state of hydroxyphenylbenzoxazoles in an alkane glass. Hedrogen tunneling and isotope effects down to 2 K
Nickel B., Grellmann K.H., Stephan J.S., Walla P.J.
Ber. Bunsen- Ges. phys. Chem, Vol: 102, No: 3 , 1998
The involvement of rotational processes in the intramolecular proton-transfer cycle
Douhal A.
Ber. Bunsen- Ges. phys. Chem, Vol: 102, No: 3 , 1998
Towards an understanding of the molecular mechanism of the unimolecular decomposition of the N-chloro-α-amino acids on the ground and excited states surfaces in aqueous medium
Queralt J.J., Safont V.S., Moliner V., Andras J.
Chem. Phys. Lett., Vol: 283, No: 5-6 , 1998
Ground state potential energy surface, 3D time-dependent intramolecular dynamics and vibrational states of the N[2]H{+} molecular ion
Mahapatra S., Vetter R., Zuhrt Ch., Nguyen H.T., Ritschel Th., Zulicke L.
Chem. Phys. Lett., Vol: 285, No: 1-2 , 1998
Theoretical and experimental studies of unimolecular dissociation of phosphorus tribromide ions
Mazyar Oleg A., Baer Tomas
Chem. Phys. Lett., Vol: 288, No: 2-4 , 1998
A theoretical study of intra-molecular vibrational effects on fractionation factors for molecules containing intra-molecular low-barrier hydrogen bonds
Humble Travis S., Halkides Christopher J., Keltner Jason D., Messina Michael
Chem. Phys. Lett., Vol: 289, No: 1-2 , 1998
A dynamical density functional study of CO migration in the Reppe carbonylation
De Angelis F., Re N., Sgamellotti A., Selloni A., Weber J., Floriani C.
Chem. Phys. Lett., Vol: 291, No: 1-2 , 1998
Probing intramolecular vibrational energy re-distribution by using a pair of femtosecond-laser pulses: a theoretical model
Hashimoto Naoyuki, Someda Kiyohiko, Yamanouchi Kaoru
Chem. Phys. Lett., Vol: 291, No: 1-2 , 1998
A new simulated annealing method combined with a polarizable continuum model based on the boundary element method
Yamane Tsutomu, Inoue Yoshio, Sakurai Minoru
Chem. Phys. Lett., Vol: 291, No: 1-2 , 1998
New phototautomerizing systems: non-symmetric derivatives of [2,2`-bipyridyl]-3,3`-diol
Borowicz Pawel, Grabowska Anna, Les Andrzej, Kaczmarek Lukasz, Zagrodzki Bogdan
Chem. Phys. Lett., Vol: 291, No: 3-4 , 1998
A simple and accurate approximation for a coupled system-bath: locally propagating gaussians
Anderson Sybil M., Zink Jeffrey I., Neuhauser Daniel
Chem. Phys. Lett., Vol: 291, No: 3-4 , 1998
Ab initio molecular dynamics simulations on the hydrolysis of methyl chloride with explicit consideration of three water molecules
Aida Misako, Yamataka Hiroshi, Dupuis Michel
Chem. Phys. Lett., Vol: 292, No: 4-6 , 1998
Study of intramolecular hydrogen abstraction on photoexcited 1,3-dimethylanthrone in the condensed phase
Omori Takashi, Suzuki Tadashi, Ichimura Teijiro
Chem. Phys. Lett., Vol: 293, No: 5-6 , 1998
Statistical analysis of the recoil energy distributions in the products of the unimolecular dissociations of NO[2] and C[2]O
Bonnet L., Rayez J.C.
Chem. Phys. Lett., Vol: 296, No: 1-2 , 1998
On the analysis of exit-channel effects in three-atom unimolecular reactions
Bonnet L., Rayez J.C.
Eur. Phys. J. D, Vol: 4, No: 2 , 1998
Molecular spectra, quantum chaos, and scars
Arrauz F.J., Borondo F., Benito R.M.
Eur. Phys. J. D, Vol: 4, No: 2 , 1998
Formation of cage-like C[60] clusters in molecular-dynamics simulations
L←aszlo I.
Europhys. Lett. , Vol: 44, No: 6 , 1998
Calcul de spectres de molecules fortement excitees
Leforestier C.
J. chim. phys. et phys.-chim. biol, Vol: 95, No: 8 , 1998
Nonlinear resonance artifacts in molecular dynamics simulations
Schlick Tamar, Mandziuk Margaret, Skeel Robert D., Srinivas K.
J. Comput. Phys., Vol: 140, No: 1 , 1998
Molecular mechanics conformational analysis of tylosin
Ivanov P.M.
J. Mol. Struct. Theochem, Vol: 440, No: 1-3 , 1998
The structure of mono-(3-amino-3-deoxy)-α-cyclodextrin in aqueous solutionmolecular dynamics and NMR studies
Usui Sh., Tanabe T., Ikeda H., Ueno A.
J. Mol. Struct. Theochem, Vol: 442, No: 1-3 , 1998
Proton motion in malonaldehyde: an a initio molecular dynamics study
Wolf K., Mikenda W., Nusterer E., et al.
J. Mol. Struct. Theochem, Vol: 448, No: 2-3 , 1998
Coarsely defined solution to the protein folding problem
Fernandez A., Burastero T.
Nuovo cim. D, Vol: 20, No: 12 , 1998
Testing replica predictions in experiments
Parisi G.
Nuovo cim. D, Vol: 20, No: 7-8 , 1998
Path integral Monte Carlo calculation of electronic forces
Zong Fenghua, Ceperley D. M.
Astrophys. J. , Vol: 58, No: 4 , 1998
Reduction of secular error in approximations to harmonic oscillator systems with nonlinear perturbations
Kahn Peter B., Zarmi Yair
Physica D, Vol: 118, No: 3-4 , 1998
The vibrational energy flow transition in organic molecules% Theory meets experiment
Bigwood R., Gruebele M., Leitner D.M., Wolynes P.G.
Proc. Nat. Acad. Sci., USA., Vol: 95, No: 11 , 1998
Intramolecular vibrational dephasing obeys a power law at intermediate times
Grubele M.
Proc. Nat. Acad. Sci., USA., Vol: 95, No: 11 , 1998
Математическое описание внутримолекулярной динамики в задачах молекулярной спектроскопии
Элькин М.Д., Березин К.В., Ведяева С.Ю., Пулин О.В., Щатурная О.С.
Ж. прикл. спектроскопии, Vol: 65, No: 1 , 1998
Математическое описание внутримолекулярной динамики в задачах молекулярной спектроскопии
Ведяева С.Ю., Пулин О.В., Шатурная О.С., Элькин М.Д.
Изв. вузов. Физ., Vol: 41, No: 2 , 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
Молекулярная динамика кластеров с поверхностями потенциальной энергии метода двухатомных фрагментов в молекулах
Григоренко Б.Л., Немухин А.В., Ожегова Н.В., Князева М.А.
Изв. вузов. Физ., Vol: 62, No: 6 , 1998
Ударное возбуждение сжатых колебательных пакетов в молекулах
Белоусов А.В., Коварский В.А., Препелица О.Б.
Письма в ЖТФ, Vol: 24, No: 13 , 1998
Компьютерное моделирование процесса самопроизвольного распада кластера из трех частиц
Чичигина О.А.
Вестн. МГУ. Сер. 3, Vol: 1997, No: 5 , published: 01 January 1997
Rigidity factors in unimolecular reactions
Troe J.
Ber. Bunsen- Ges. phys. Chem, Vol: 101, No: 3 , 1997
Unimolecular dissociation of multiply-charged fullerene ions via the loss of intact C[6]{+} units
Senn G., Dunser B., Mark T.D.
Chem. Phys. Lett., Vol: 266, No: 1-2 , 1997
All-quantum description of molecules: Electrons and nuclei of C[6]H[6]
Ramirez R., Schulte J., Bohm M.C.
Chem. Phys. Lett., Vol: 275, No: 3-4 , 1997
Beats in internal vibrational energy redistribution in trans-stilbene-a study of the quantum and classical correspondence
Bolton K., Nordholm S.
Chem. Phys., Vol: 207, No: 1 , 1996
On the sampling of microcanonical distribution for rotating triatomic molecules
Rosenblum I., Dashevskaya E.I., Nikitin E.E., Oref I.
Chem. Phys., Vol: 213, No: 1-3 , 1996
The classical noncompact algebraic approach to the highly excited multi-mode vibrational dynamics
Wu G.
Chem. Phys. Lett., Vol: 248, No: 1-2 , 1996
Application of generalized filter-diagonalization to extract instantaneous normal modes
Pang J.W., Neuhauser D.
Chem. Phys. Lett., Vol: 252, No: 3-4 , 1996
Molecular dynamics, Langevin and hybrid Monte Carlo simulations in a multicanonical ensemble
Hansmann U.H.E., Okamoto Y., Eisenmenger F.
Chem. Phys. Lett., Vol: 259, No: 3-4 , 1996
Multidimensional tunneling in terms of complex classical mechanics: Wave functions, energy splittings, and decay rates in nonintegrable systems
Takada Shoji
J. Chem. Phys., Vol: 104, No: 10 , 1996
Reaction dynamics of the four-centered elimination CH[2]OH{+}→CHO{+}+H[2]: Measurement of kinetic energy release distribution and classical trajectory calculation
Lee T.G., Park S.C., Kim M.S.
J. Chem. Phys., Vol: 104, No: 12 , 1996
Partitioning of the nonfixed excess energy and the reverse critical energy in CH]OH}←CHO}+H]: A classical trajectory study
Lee T.G., Kim M.S., Park S.C.
J. Chem. Phys., Vol: 104, No: 14 , 1996
Phase transitions and critical dynamics in (C[18]H[37]NH[3])[2]SnCl[6]
Lee K.W., Lee C.H., Kang J.K.
J. Chem. Phys., Vol: 104, No: 18 , 1996
Decane under shear: A molecular dynamics study using reversible NVT-SLLOD algorithms. [J. Chem. Phys. 103, 10192 (1995)]. Erratum
Mundy Ch.J., Siepmann J.I., Klein M.L.
J. Chem. Phys., Vol: 104, No: 19 , 1996
Comparison of zero-point energy constrained and quantum anharmonic Rice-Ramsperger-Kassel-Marcus and phase space theory rate constants for Al[3] dissociation
Peslherbe Gilles H., Hase William L.
J. Chem. Phys., Vol: 104, No: 23 , 1996
decay of high Rydberg states: A paradigm for intramolecular dynamics in a congested bound level structure coupled to a continuum
Remacle F., Levine R.D.
J. Chem. Phys., Vol: 104, No: 4 , 1996
Saddle-node bifurcations in the LiNC/LiCN molecular system: Classical aspects and quantum manifestations
Borondo F., Zembekov A.A., Benito R.M.
J. Chem. Phys., Vol: 105, No: 12 , 1996
Molecular dynamics of linear and branched alkanes: Simulations and nuclear magnetic resonance results
Mondello M., Grest G.S., Garcia A.R., Silbernagel B.G.
J. Chem. Phys., Vol: 105, No: 12 , 1996
Saddle-node bifurcations in the LiNC/LiCN molecular system: Classical aspects and quantum manifestations
Borondo F., Zembekov A.A., Benito R.M.
J. Chem. Phys., Vol: 105, No: 12 , 1996
Molecular dynamics of linear and branched alkanes: Simulations and nuclear magnetic resonance results
Mondello M., Grest G.S., Garcia A.R., Silbernagel B.G.
J. Chem. Phys., Vol: 105, No: 12 , 1996
Molecular dynamics study of Na{+} and Cl{-} in methanol
Sese G., Guardia E., Padro J.A.
J. Chem. Phys., Vol: 105, No: 19 , 1996
Intrinsic non-RRK behavior: Classical trajectory, statistical theory, and diffusional theory studies of a unimolecular reaction
Shalashilin D.V., Thompson D.L.
J. Chem. Phys., Vol: 105, No: 5 , 1996
Simulation of activation free energies in molecular systems
Neria E., Fisher S., Karplus M.
J. Chem. Phys., Vol: 105, No: 5 , 1996
Molecular dynamics studies on the effect of trifluoperazine in the Ca{2+} binding process of calmodulin
Kim Eun Sung, Kang Nam Sook, Jhon Mu Shik
J. Mol. Struct. Theochem, Vol: 380, No: 1-2 , 1996
Detonations at nanometer resolution using molecular dynamics. [Phys. Rev. Lett. 70, 2174 (1993)]. Erratum
Brenner D.W., Robertson D.H., Elert M.L., et al.
J. Electron. Mater., Vol: 76, No: 12 , 1996
Dynamic crack processes via molecular dynamics
Zhou S.J., Lomdahl P.S., Thomson R., Holian B.L.
J. Electron. Mater., Vol: 76, No: 13 , 1996
Симметрия как основа описания спектров внутримолекулярных движений
Буренин А.В.
Ж. физ. химии, Vol: 70, No: 10 , 1996
Области применимости адиабатического приближения в методе молекулярной динамики
Валуев А.А., Каклюгин А.С., Норман Г.Э.
Хим. физ., Vol: 15, No: 2 , 1996
Многомерная динамика элементарного акта реакции. Энергетическая диффузия по внутренним модам
Бережковский А.М., Зицерман В.Ю.
Хим. физ., Vol: 15, No: 4 , 1996
Subpicosecond vibrational relaxation of the S[1] states of azulene and quaiazulene in solution
Tittelbach-Helmrich D., Wagner B.D., Steer R.P.
Can. J. Chem, Vol: 73, No: 2 , 1995
Elimination of asymptotic couplings in molecular dynamics
Riera A.
Chem. Phys. Lett., Vol: 232, No: 5-6 , 1995
Shifted-update rotation: Simple integration of the many-level Schrodinger equation to long times
Bigwood R., Gruebele M.
Chem. Phys. Lett., Vol: 233, No: 4 , 1995
Tetramethylene lifetimes predicted by microcanonical variational unimolecular rate theory
Doubleday Ch.D.
Chem. Phys. Lett., Vol: 233, No: 5-6 , 1995
A simple test for evaluating the truncation effects in simulations of systems involving charged groups
Auffinger P., Beveridge D.L.
Chem. Phys. Lett., Vol: 234, No: 4-6 , 1995
Semi-classical Monte Carlo path integration without root searches
Kinugawa T.
Chem. Phys. Lett., Vol: 235, No: 5-6 , 1995
Path-integral treatment of multi-mode vibronic coupling. II. Correlation expansion of class averages
Krempl S., Winterstetter M., Domcke W.
J. Chem. Phys., Vol: 102, No: 16 , 1995
Dynamics of molecular inversion: An instanton approach
Smedarchina Z., Siebrand W., Zgierski M.Z., Zerbetto F.
J. Chem. Phys., Vol: 102, No: 18 , 1995
Superstable nonequilibrium states
Amini A., Xu Y., Schell M.
J. Chem. Phys., Vol: 102, No: 8 , 1995
Reaction rates in classical chaotic ABC molecules
Bruhn B.
J. Phys. A, Vol: 28, No: 9 , 1995
Full configuration interaction molecular dynamics of Na[2] and Na[3]
Liu Zh., Carter L.E., Carter E.A.
J. Phys. Chem, Vol: 99, No: 13 , 1995
Molecular dynamics on deformed potential energy hypersurfaces
Pillardy J., Piela L.
J. Phys. Chem, Vol: 99, No: 31 , 1995
Classical limit of the distribution of quantum fluctuations in inter- and intramolecular dynamics
Levine R.D.
J. Phys. Chem, Vol: 99, No: 9 , 1995
Dynamical tunneling and molecular spectra
Heller E.J.
J. Phys. Chem, Vol: 99, No: 9 , 1995
The molecular transition state: From regular to chaotoc dynamics
Burghardt I., Gaspard P.
J. Phys. Chem, Vol: 99, No: 9 , 1995
Rate theory and quantum energy flow in molecules: Modeling the effects of anisotropic diffusion and of dephasing
Schofield S.A., Wolynes P.G.
J. Phys. Chem, Vol: 99, No: 9 , 1995
Анализ колебательно-вращательной динамики на фазовой плоскости
Петров С.В., Грановский А.А., Павлов-Веревкин В.Б.
Ж. физ. химии, Vol: 69, No: 12 , 1995
Фликкер-шум и числовые последовательности Фибоначчи
Тимашев С.Ф.
Ж. физ. химии, Vol: 69, No: 12 , 1995
Energetics and dynamics of deterministic protein motion
Miller R.J.D.
Accounts Chem. Res, Vol: 27, No: 5 , 1994
A molecular dynamics simulation of the plastic phase (I) of cyclopentane
Cardini G., Ricci M., Righini R., et al.
Chem. Phys., Vol: 189, No: 1 , 1994
Microcanonical rate constant in nonequilibrium distribution of vibrational energy on the basis of Slater`s theory of unimolecular reactions
Metsala Andrus
Chem. Phys., Vol: 189, No: 3 , 1994
Comment on "State-specific unimolecular reaction of NO[2] just above the dissociation threshold" [J. Chem. Phys. 99, 254 (1993)] by J. Miyawaki et al. Authors` reply
Wittig C., Ioniv S.I.
J. Chem. Phys., Vol: 100, No: 6 , 1994
Quasiregular spectral features of the strongly chaotic Fermi resonant system
Zembekov A.A.
J. Chem. Phys., Vol: 101, No: 10 , 1994
Molecular dynamics simulation of molten silica at high pressure
Vessal B., Amini M., Akbarzadeh H.
J. Chem. Phys., Vol: 101, No: 9 , 1994
Unimolecular decomposition of t-C[4]H[9] radical
Knyazev V.D., Dubinsky I.A., Slagle I.R., Gutman D.
J. Phys. Chem, Vol: 98, No: 20 , 1994
Molecular tunneling in p-tert-butylcalix[4]arene(2:1)p-xylene
Prager M., Caciuffo R., Amoretti G., Carlile C.J., Coddens G., Fillaux F., Francescangeli O., Ugozzoli F.
Mol. Phys. , Vol: 81, No: 3 , 1994
A molecular dynamics simulation study of chloroform
Tironi I.G., van Ginsteren W.F.
Mol. Phys. , Vol: 83, No: 2 , 1994
Molecular dynamics simulation of the hydrated d(CGCGAATTCGCG)[2] dodecamer
Miaskiewicz K., Osman R., Weinstein H.
J. Am. Ceram. Soc. , Vol: 115, No: 4 , 1993
Simulation of conformational dynamics with the MM3 force field: The pseudorotation of cyclopentane
Cui W., Li F., Allinger N.L.
J. Am. Ceram. Soc. , Vol: 115, No: 7 , 1993
Effects of long-range electron transfer on charge transport in static assemblies of redox centers
Blauch D.N., Saveant J.-M.
J. Phys. Chem, Vol: 97, No: 24 , 1993
Weak collision effects in the reaction C[2]H[5]C[2]H[4]+H
Feng Y., Niiranen J.T., Bencsura A., Knyazev V.D., Gutman D., Tsang W.
J. Phys. Chem, Vol: 97, No: 4 , 1993
Броуновское движение в высоковозбужденных состояниях ротатора
Югай К.Н., Минабудинова С.А.
Изв. вузов. Физ., Vol: 36, No: 2 , 1993
Large amplitude Hamiltonians for internal motion in AX[3] molecules. Inversion-rotation and stretching modes of NH[3]
Wallace R., Chu C.
Chem. Phys., Vol: 161, No: 1-2 , 1992
A remedy for zero-point energy problems classical trajectories: A combined semiclassicalclassical molecular dynamics algorithm
Alimi R., Garcia-Vela A., Gerber R.B.
J. Chem. Phys., Vol: 96, No: 3 , 1992
Methyl group dynamics in the crystalline alanine dipeptide: A combined computer simulation and inelastic neutron scattering analysis
Kneller G.R., Doster W., Setties M., Cusack S., Smith J.C.
J. Chem. Phys., Vol: 97, No: 12 , 1992
State-specific unimolecular dynamics of HFCO. I. Dissociation rates
Choi Y.S., Moore C.B.
J. Chem. Phys., Vol: 97, No: 2 , 1992
Energy partitioning in the dissociation reaction Ar[3]{+}→Ar[2]{+}+Ar
Furuya K., Kimura K., Hirayama T.
J. Chem. Phys., Vol: 97, No: 2 , 1992
Classical trajectory study of the decomposition of HCOH{+} on a symmetry-invariant potential-energy surface [J. Chem. Phys. 96, 1093 (1992)]. Erratum
Ma N.L., Radom L., Collins M.A.
J. Chem. Phys., Vol: 97, No: 2 , 1992
Quantum dynamics of overtone relaxation in benzene. I. 5 and 9 mode models for relaxation from CH(ν=3)
Wyatt R.E., Iung Chr., Leforestier C.
J. Chem. Phys., Vol: 97, No: 5 , 1992
Quantum dynamics of overtone relaxation in benzene. II. 16 mode model for relaxation from CH(ν=3)
Wyatt R.E.
J. Chem. Phys., Vol: 97, No: 5 , 1992
Influence of conformational exchange on the 2D NOESY spectra of biomolecules existing in multiple conformations
Lee W., Krishna N.R.
J. Magn. Reson, Vol: 98, No: 1 , 1992
Semiclassical approach for bifurcations in a smooth finite-depth potential
Magner Alexander G., Arita Ken-ichiro, Fedotkin Sergey N.
Progr. Theor. Phys., Vol: 115, No: 3
Диффузионная модель pелаксации возбужденных состояний в совеpшенных и дефектных фpенкель-контоpовских системах
Михейкин И.Д., Сакун В.П., Пеpвов В.С.
Хим. физ., Vol: 25, No: 2
Variable temperature single-molecule dynamics of MEH-PPV
Lee Y.J., Kim D.Y., Grey J.K., et al.
ChemPhysChem., Vol: 6, No: 11.
Femtochemistry of inter- and intramolecular hydrogen bonds
Douhal A., Sanz M., Tormo L., et al.
ChemPhysChem., Vol: 6, No: 3
Simultaneous real-time tracking of wave packets evolving on two different potential curves in H[2]{+} and D[2]{+}
Alnaser A. S., Ulrich B., Tong X. M., Litvinyuk I. V., Maharjan C. M., Ranitovic P., Osipov T., Ali R., Ghimire S., Chang Z., Lin C. D., Cocke C. L.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 72, No: 3
Imaging the time-dependent structure of a molecule as it undergoes dynamics
Legare F., Lee Kevin F., Litvinyuk I. V., Dooley P. W., Bandrauk A. D., Villeneuve D. M., Corkum P. B.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 72, No: 5
Molecular dynamics study on the energy characteristic of copper nanoclusters at room temperature and during heating
Yang Quan-Wen, Zhu Ru-Zeng, Wen Yu-Hua
Acta phys. sin., Vol: 54, No: 1
Синтез и пpостpанственное стpоение пептидов H-Leu-His-Lys-Leu-Gln-Thr-NH[2] и H-Ala-D-Ala-Lys-Leu-Ala-Thr-NH[2]
Рогачевский И.В., Буpов С.В., Щеголев Б.Ф.
Ж. общ. химии, Vol: 75, No: 5
Meccano on the nanoscale-a blueprint for making some of the world`s tiniest machines
Flood Amar H., Ramirez Robert J.A., Deng Wei-Qiao, et al.
Austral. J. Chem., Vol: 57, No: 4
Chiral conjoined cavitands
Irwin Jacob L., Sinclair David J., Edwards Alison J., et al.
Austral. J. Chem., Vol: 57, No: 4
Observation of coherent recurrence motion of excitons in anthracene dimers
Yamazaki Iwao, Akimoto Seiji, Aratani Naoki, et al.
Bull. Chem. Soc. Jpn., Vol: 77, No: 11
Designing systems for a multiple use of light signals
Bergamini G., Ceroni P., Balzani V., et al.
ChemPhysChem., Vol: 5, No: 3
The excit4ed-state dynamics of phycocyanobilin in dependence on the excitation wavelength
Dietzek B., Maksimenk R., Hermann G., et al.
ChemPhysChem., Vol: 5, No: 8
Optical spectroscopy of biomolecular dynamics
Vohringer P., Haran G.
ChemPhysChem., Vol: 5, No: 9
Theoretical studies of the unimolecular and bimolecular tautomerization of cytosine
Yang Zhibo, Rodgers M.T.
Phys. Chem. Chem. Phys., Vol: 6, No: 10
Vibrational dynamics of SCCl[2] from the zero point to the first dissociation limit
Strickler Brent, Gruebele Martin
Phys. Chem. Chem. Phys., Vol: 6, No: 14
Tuning proton coupled electron transfer from tyrosine: a competition between concerted and step-wise mechanisms
Sjodin Martin, Ghanem Raed, Polivka Tomas, et al.
Phys. Chem. Chem. Phys., Vol: 6, No: 20
Recent developments in the quantum dynamical characterization of unimolecular resonances
Zhang Hong, Smith Sean C.
Phys. Chem. Chem. Phys., Vol: 6, No: 5
Coulomb Explosion of Large Polyatomic Molecules Assisted by Nonadiabatic Charge Localization
Markevitch Alexei N., Romanov Dmitri A., Smith Stanley M., Levis Robert J.
Phys. Rev. Lett., Vol: 92, No: 6
Coulomb Explosion of Large Polyatomic Molecules Assisted by Nonadiabatic Charge Localization
Markevitch Alexei N., Romanov Dmitri A., Smith Stanley M., Levis Robert J.
Phys. Rev. Lett., Vol: 92, No: 6
Generalized Langevin Equation with Fractional Gaussian Noise: Subdiffusion within a Single Protein Molecule
Kou S. C., Xie X. Sunney
Phys. Rev. Lett., Vol: 93, No: 18
Компьютеpное моделиpование молекуляpных комплексов H[3]O{+}(H[2]O)[n] в условиях теpмических флуктуаций. II. Работа фоpмиpования и стpуктуpа
Шевкунов С.В.
Ж. общ. химии, Vol: 74, No: 10
Моделиpование динамики двойного пpотонного пеpеноса в димеpе бензойной кислоты
Степанов А.В., Цвиpко М.П.
Ж. прикл. спектроскопии, Vol: 71, No: 4
Динамика локализованных волновых пакетов вpащательных состояний молекулы в сильном лазеpном поле
Тихонова О.В., Молоденский М.С.
Ж. эксперим. и теор. физ., Vol: 125, No: 6
Внутpенняя динамика в комплексных гидpидах типа LBH[4]
Буpенин А.В.
Оптика и спектроскопия, Vol: 96, No: 6
Квантовая фемтосекундная динамика димеpов в оптически плотных газовых сpедах
Моисеев С.А., Носков М.И.
Оптика и спектроскопия, Vol: 96, No: 6
Симметpия внутpенней динамики и pазделение движений для основного изомеpа молекулы LiReO[4]
Буpенин А.В.
Оптика и спектроскопия, Vol: 97, No: 2
An essential approach to the architecture of diatomic molecules. 1. Basic theory
Yarman T.
Оптика и спектроскопия, Vol: 97, No: 5
An essential approach to the architecture of diatomic molecules. 2. How size, vibrational period of time, and mass are interrelated?
Yarman T.
Оптика и спектроскопия, Vol: 97, No: 5
Наблюдение в pеальном вpемени динамики пеpеpаспpеделения колебательной энеpгии внутpи изолиpованной многоатомной молекулы методом спектpоскопии спонтанного комбинационного pассеяния
Малиновский А.Л., Макаpов А.А., Рябов Е.А.
Письма в ЖЭТФ, Vol: 80, No: 7-8
Dissipative wave packet dynamics of the intramolecular hydrogen bond in o-phthalic acid monomethylester
Kuhn O., Naundorf H.
Phys. Chem. Chem. Phys., Vol: 5, No: 1
Intramolecular vibrational energy redistribution in DCO (X{2} A`): Classical-quantum correspondence, dynamical assignments of highly excited states, and phase space transport
Semparithi Aravindan, Keshavamurthy Srihari
Phys. Chem. Chem. Phys., Vol: 5, No: 22
Time-Resolved Dynamics of Thermal Isomerization in Cesium-Halide Cluster Anions
Dally A. J., Bloomfield L. A.
Phys. Rev. Lett., Vol: 90, No: 6
Спектрально-люминесцентные свойства и динамика внутримолекулярных процессов 2,4,5-триарилимидазолов
Гостев Ф.Е., Кольцова Л.С., Петрухин А.Н., и др.
Хим. физ., Vol: 22, No: 3
Mode dependence of vibrational energy redistribution in nickel tetraphenylporphyrin probed bu picosecond time-resolved resonance Raman spectroscopy. Slow IVR to phenyl peripherals
Mizutani Yasuhisa, Kitagawa Teizo
Bull. Chem. Soc. Jpn., Vol: 75, No: 5
The Johari-Goldstein process of a model diatomic molecular system in thesupercooled state
Higuchi Mariko, Odagaki Takashi
J. Phys. Soc. Jpn., Vol: 71, No: 3
Intramolecular vibrational redistribution and energy relaxation in solution: A molecular dynamics approach
Kab G., Schroder C., Schwarzer D.
Phys. Chem. Chem. Phys., Vol: 4, No: 2
Unimolecular reaction dynamics of HSO. Analysis of the influence of different barrier samplings on the product energy distributions
Martinez-Nunez E., Vazquez S.A., Varandas A.J.C.
Phys. Chem. Chem. Phys., Vol: 4, No: 2
Ultrafast energy relaxation in bacteriorhodopsin studied by time-integrated fluorescence
Schenkl S., Portuondo E., Zgrablic G., et al.
Phys. Chem. Chem. Phys., Vol: 4, No: 20
Solvent dynamical effects on the electron self-exchange rate o the TEMPO{.}/TEMPO{+} couple (TEMPO=2,2,6,6-tetramethyl-1-piperidinyloxy radical). Part I. ESR-linebroadening measurements at T=298 K
Grampp G., Rasmussen K.
Phys. Chem. Chem. Phys., Vol: 4, No: 22
On product state distributions in triatomic unimolecular reactions. Part II. Processes governed by non-linear bending forces
Larrgaray P., Bonnet L., Rayez J.C.
Phys. Chem. Chem. Phys., Vol: 4, No: 9
Measuring moving nuclear wave packets using laser Coulomb-explosion imaging
Chelkowski Szczepan, Bandrauk Andre D.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 65, No: 2
Constructing a model for performing simulation of the molecular dynamics of a peptide in vacuum
Isvoran Adriana
Rom. J. Phys., Vol: 47, No: 5-6
Vibrational dynamics in hydrogen-bonded (pyridine + Water) complexes studied by spectrally resolved femtosecond CARS
Schlucker S., Heid M., Singh R.K., et al.
Z. phys. Chem., Vol: 216, No: 3
On the possibility of the observation of intramolecular reaction dynamics in liquids by time-resolved X-ray scattering
Techert S., Schmatz S.
Z. phys. Chem., Vol: 216, No: 5
Структура и внутримолекулярная подвижность N-(тио)фосфорил(тио)амидов. XI. Интерпретация методом спектроскопии ЯМР {1}H, {13}C и {31}P N-бензоил(ацетил)амидофосфат→N-тиобензоил(ацетил)-амидофосфатной перегруппировки
Каратаева Ф.Х., Черкасов Р.А., Забиров Н.Г., Клочков В.В.
Ж. общ. химии, Vol: 72, No: 10
Неэмпирическое описание движения ядер в структурно-нежестких молекулах M[k]XY{n] (k≥1) с квазижесткими фрагментами XY[n]
Маренич А.В., Соломоник В.Г.
Ж. структур. химии, Vol: 43, No: 6
Реориентационное движение метильной группы в комплексном соединении трихлорида сурьмы с этилбензолом (1:1) по данным ЯКР
Кюнцель И.А.
Ж. физ. химии, Vol: 76, No: 8
Качественная квантовая динамика с учетом псевдовращения Берри в молекулах XPF[4] и PF[5]. II. Молекула PF[5]
Буренин А.В.
Оптика и спектроскопия, Vol: 92, No: 1
О природе геометрических групп симметрии в квантовой внутримолекулярной динамике
Буренин А.В.
Оптика и спектроскопия, Vol: 92, No: 5
Применение инстантонного метода к исследованию спектров туннельного расщепления нежестких молекулярных систем
Ирошников Г.С., Суханов Л.П.
Оптика и спектроскопия, Vol: 93, No: 4
Rigidity of orientationally ordered domains of short chain molecules
Nakamura Hiroaki, Fujiwara Susumu, Sato Tetsuya
J. Phys. Soc. Jpn., Vol: 70, No: 4
Kinetic analysis of the migration of vibrational excitations in harmonic and anharmonic dendrimer model systems
Nomura Y., Shibuya T.
J. Phys. Soc. Jpn., Vol: 70, No: 7
Effect of rotation on internal dynamics and phase-space structure of rare-gas trimers
Belega E.D., Trubnikov D.N., Lohr L.L.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 63, No: 4
Nonspreading wave packets of diatomic molecules: Generation and control
Kim J.-H., Yuan J.-M., Liu W.-K., et al.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 63, No: 4
Model-Free Determination of Dissociation Energies of Polyatomic Systems
Vogel M., Hansen K., Herlert A., Schweikhard L.
Phys. Rev. Lett., Vol: 87, No: 1
Nuclear Fusion induced by Coulomb Explosion of Heteronuclear Clusters
Last Isidore, Jortner Joshua
Phys. Rev. Lett., Vol: 87, No: 3
Charge-Induced Fragmentation of Sodium Clusters
Blaise P., Blundell S. A., Guet C., Zope Rajendra R.
Phys. Rev. Lett., Vol: 87, No: 6
{129}Xe-Xe Molecular Spin Relaxation
Chann B., Nelson I. A., Anderson L. W., Driehuys B., Walker T. G.
Phys. Rev. Lett., Vol: 88, No: 11
Ab Initio Molecular Dynamics for Molecules with Variable Numbers of Electrons
Tavernelli Ivano, Vuilleumier Rodolphe, Sprik Michiel
Phys. Rev. Lett., Vol: 88, No: 21
Tautomerization and dissociation of dimethyl phosphonate ions 9CH[3]O)[2]P(H)=O{×+}: Theory and experiment in concert
Neydorn L.N., Ling Y., de Oliveira G. et al.
Z. phys. Chem., Vol: 215, No: 2
Analysis of vibrationally heighly excited bound and resonance states of DCO (X{2}A`) using an effective polyad Hamiltonian
Troellsch A., Temps F.
Z. phys. Chem., Vol: 215, No: 2
Миграция протонов в цепи тирозинов
Тулуб А.А.
Ж. общ. химии, Vol: 71, No: 8
Многомерная туннельная динамика протонного переноса в молекуле малонового альдегида и ее изотопомерах
Бендерский В.А., Ветошкин Е.В., Иргибаева И.С. и др.
Изв. РАН. Сер. хим., Vol: , No: 7
Новые уравнения для производных от колебательных частот
Князев Д.А.
Оптика и спектроскопия, Vol: 90, No: 3
Качественная квантовая динамика с учетом псевдовращения Берри в молекулах XPF[4] и PF[5]. I. Молекула XPF[4]
Буренин А.В.
Оптика и спектроскопия, Vol: 90, No: 6
Расчет константы скорости мономолекулярных реакций диссоциации с использованием неэмперической поверхности потенциальной энергии. Реакция C[3]H[5]I→C[3]H[5]+I
Богданчиков Г.А., Бакланов А.В.
Хим. физ., Vol: 20, No: 5
Structures and dynamics of Pd[13] clusters
Boyukata M., Karabacak M., Ozcelik S., et al.
Bulg. J. Phys., Vol: 1, No: Suppl
Molecular dynamics study on structures and melting of Pd[9] clusters
Karabacak M., Boyukata M., Ozcelik S., et al.
Bulg. J. Phys., Vol: 1, No: Suppl
Structures and melting of Cu[13] clusters
Ozcelik S., Guvenc Z.B., Jellinek J.
Bulg. J. Phys., Vol: 1, No: Suppl
The fragmentation simulations of Ni[6] CLUSTER
Guven M.H.
Bulg. J. Phys., Vol: 27, No: 2
Physical consequences of a mechanically interlocked architecture: Benzylic amide catenane NH stretching vibrations as sensitive probes for weakly hydrogen-bonding environments
Fustin Ch.-A., Leigh D.A., Rudolf P., et al.
ChemPhysChem., Vol: 1, No: 2
Tight-binding molecular dynamics study of hydrogen molecule inside silicon crystal
Takaba Hiromitsu, Endou Akira, Yamada Aruba et al.
Jpn. J. Appl. Phys., Part 1, Vol: 39, No: 5A
Ab initio and RRKM studies of the unimolecular reactions of CH[2]XCHFO (X=H, F) radicals
Hou Hua, Wang Baoshan, Gu Yueshu
Phys. Chem. Chem. Phys., Vol: 2, No: 1
Preferential solvation of N-methulformamide, N,N-dimethylformamide and N-methulacetamide by water and alcohols in the binary and ternary mixtures
Zielkiewicz Jan
Phys. Chem. Chem. Phys., Vol: 2, No: 13
Boltzmann wavepacket dynamics of tunnelling of molecules through symmetric and asymmetric energy barriers on non-periodic potential functions
Hughes Keith H., Macdonald John N.
Phys. Chem. Chem. Phys., Vol: 2, No: 16
Boltzmann wavepacket dynamics on periodic molecular ptoential functions
Hughes Keith H., Macdonald John N.
Phys. Chem. Chem. Phys., Vol: 2, No: 19
Theoretical studies of unimolecular reactions of C[2]-C[5] alkoxyl radicals. Part III. A microscopic structure activity relationship (SAR)
Somnitz H., Zellner R.
Phys. Chem. Chem. Phys., Vol: 2, No: 19
Full dimensional ab-initio dynamics calcualtions of electron capture processes by the H[3]O{+} ion
Tachikawa Hiroto
Phys. Chem. Chem. Phys., Vol: 2, No: 19
Further computer simulation studies of the orientational behaviour of poly(ethylene terephthalate) chains
Cail Jonathan I., Stepto Robert F.T., Taylor David J.R. et al.
Phys. Chem. Chem. Phys., Vol: 2, No: 19
Role of rotamerisation and excited state intramolecular proton transfer in the photophysics of 2-(2`-hydroxyphenyl)benzoxazole, 2-(2`-hydroxyphenyl)benzimidazole and 2-(2`-hydroxyphenyl)benzothiazole: a theoretical study
Purkayastha Pradipta, Chattopadhyay Nitin
Phys. Chem. Chem. Phys., Vol: 2, No: 2
A forgotten channel in the excited state dynamics of phenol-(ammonia)[n] clusters: hyudrogen transfer
Pino G., Gregoire G., Dedonder-Lardeux C. et al.
Phys. Chem. Chem. Phys., Vol: 2, No: 4
Comment on "Direct time-resolved UV-absorption study on the ultrafast internal conversion of cycloheptatriene in solution" by A. Hertwig, H. Hippler, H. Schmid and A.-N. Unterreiner, Phys. Chem. Chem. Phys., 1999, 1, 5129
Trushin S.A., Fauss W., Schmid W.E.
Phys. Chem. Chem. Phys., Vol: 2, No: 7
Large molecules, ions, radicals and small soot particles in fuel-rich hydrocarbon flames. Part IV. Large polycyclic aromatic hydrocarbons and their radicals in a fuel-rich benzene-oxygen flame
Keller A., Kovacs R., Homann K.-H.
Phys. Chem. Chem. Phys., Vol: 2, No: 8
Investigation of the primary electron transfer processes in some rigidly bridged dyads and triads by (sub)picosecond pump-probe experiments
Seischab Michael, Lodenkemper Thomas, Stockmann Andre et al.
Phys. Chem. Chem. Phys., Vol: 2, No: 9
Nonlinear Landau-Zener tunneling
Wu Biao, Niu Qian
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 61, No: 2
Ghost orbits in the diamagnetic hydrogen spectrum using harmonic inversion
Gremaud Benoit, Delande Dominique
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 61, No: 3
Surface migrations of endohedral Li{+} on the inner wall of C[60]
Bernshtein V., Oref I.
Phys. Rev. A: At. Mol. Opt. Phys., Vol: 62, No: 3
Kinetic analysis of complex chemical activation and unimolecular dissociation reactions using QRRK theory and the modified strong collision approximation
Chang A.Y., Bozzelli J.W., Dean A.M.
Z. phys. Chem., Vol: 214, No: 11
Influence of vibrational resonances and coriolis coupling on dissociation rates in the near-threshold unimolecular fragmentation of HOCl
Hauschildt J., WeiSS J., Schinke R.
Z. phys. Chem., Vol: 214, No: 5
Константа скорости диссоциации двухатомных молекул и квазидвухатомных димеров
Вигасин А.А., Макаров В.Н.
Вестн. МГУ. Сер. 2, Vol: 41, No: 5
Качественная внутренняя динамика молекулы формальдегида при реализации ее двух изомерных форм
Буренин А.В.
Оптика и спектроскопия, Vol: 89, No: 6
Гамильтониан и соотношения перестановки
Медведев Б.В.
Теор. и мат. физ., Vol: 122, No: 3