... The molecular structure of 2-chloroacrolein was reinvestigated by means of gas-phase electron diffraction, ab initio MO calculations and vibrational analysis. ... In the electron diffraction analysis, the bond length and bond angle difference predicted by ab initio calculations of the conformers were assumed. ... Conformational composition and geometrical parameters obtained from the electron diffraction analysis are in agreement with the results from ab initio calculations. ...

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• PC Crystal Chemistry Analysis of Organic Crystal Structures
• Analysis of the structure of foam graphite by optoacoustic spectroscopy and
• Moscow University Chemistry Bulletin Vol. 55, No. 1, P. 43 (2014)

... Supercomputing Technologies in Science, Education and Industry Almanac Series . ... DiMMon: a New Approach to Supercomputer Monitoring . ... Kazan National Research Technological University . ... AREA: Physical Chemistry, Optics and Quantum Electronics . ... Moscow State Uiversity . DRIVER: Supercomputer-aided development of new mid-infrared laser technologies. ... AREA: Optics and Quantum Electronics . ... Research Computing Center (RCC) of Lomonosov Moscow State University . ...

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• APPLICATIONS: Inorganic Chemistry | Moscow University Supercomputing Center
• APPLICATIONS: Theoretical Physics | Moscow University Supercomputing Center

Электронная библиотека Попечительского совета . ... Domcke W., Yarkony D., Koppel H. - Conical Intersections: Electronic Structure, Dynamics Spectroscopy . ... Название: Conical Intersections: Electronic Structure, Dynamics Spectroscopy . ... Finally, Section III deals with the role of conical intersections for researchers in the fields of molecular electronic-structure theory, molecular spectroscopy, photochemistry and chemical-reaction dynamics. ...

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• Springborg M. - Methods of Electronic-Structure Calculations: From Molecules to
• Schwerdtfeger P. - Relativistic Electronic Structure Theory: Applications, Vol.
• Mueller M. - Fundamentals of Quantum Chemistry Molecular Spectroscopy and

... Synthesis, Crystal and Electronic Structure of Subvalent Metal Compounds . Head of the Group: Prof. B.A.Popovkin . Group Staff . ... Main research interests - design and synthesis of new inorganic compounds with isolated cluster fragments or low-dimensional extended systems of homo- or heteronuclear metal-metal bonds; the search for new compounds featuring drastic anisotropy of physical properties; determination of correlations between crystal and electronic structures of such compounds. ...

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• CLUSTERS AND EXTENDED METAL-META

Выберите категорию обращения: Общие вопросы Отчеты Рейтинги Диссертационные советы Конкурсы Ввод данных Структура организаций Пользователи Проблемы с регистрацией\входом в систему . ... Войти в систему . ... Godunov I.A. , Yakovlev N.N. , Maslov D.V. , Bokarev S.I. в журнале Journal of Molecular Spectroscopy , издательство Academic Press (United States) , том 260, ? ...

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• Sipachev V.A. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Kloo L. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Almeninngen A. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического

... Scientific Laboratories . ... Main Science and education Scientific Laboratories Laboratory of solid-state lasers and coherent spectroscopy . ... The first experiments in the laboratory of solid-state lasers and coherent spectroscopy were done in 1974-1975 years. ... In 1980, the laboratory began more complex experiments on the base of picosecond lasers, namely experiments realizing nonstationary picosecond CARS of molecular gases (CARS-coherent antiStokes Raman scattering). ...

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• Laboratory of Nonlinear Spectroscopy of Ultrafast Processes in Condensed Matter

... Simulation of a molecular structure formation as a result of thermal disruption in amorphous carbon" . ... The IBM BlueGene/P supercomputer installed at the Faculty of Computational Mathematics and Cybernetics of the Lomonosov Moscow State University was used. Keywords: multiscale quantum molecular dynamics codes, phase transition in amorphous carbon, phase change memory, nanotechnology, supercomputer IBM BlueGene/P. PDF (Full text in Russian, References in English) (1.58MB) . ...

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• "Machine learning algorithms for analysis and categorization of electronic text
• A system for analysis of information structure of programs.

... Laboratory of laser spectroscopy of solutions of supramolecular compounds and nanostructures is very young. We have grown up in the laboratory of laser spectroscopy of water media. ... Use of such powerful modern tools of solution of inverse problems and problems of optimization provides successful solution of a wide range of applied problems of diagnostics and analysis of water media. ... 2016 Laboratory of laser spectroscopy of solutions of supramolecular compounds and nanostructures . ...

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... 11:00-11:30 Break 11:30-12:00 Lecture 3 Prof . Heinz Oberhammer , Institute of Physical and Theoretical Chemistry , University of Tubingen, Germany Structures and Conformations of Disilacyclohexanes 12:00-12:30 Lecture 4 Prof . Ingvar Arnason , University of Iceland, Iceland Energetics and Potentional Energy Surfaces of Disilacyclohexanes 12:30-13:00 Lecture 5 Prof . Igor Godunov, Chemistry Department , MSU , ...

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Collaborative Computational Projects . The Collaborative Computational Projects (CCPs), assist universities in developing, maintaining, and distributing computer programs and promoting the best computational methods. ... CCP3 --- Computational studies of surfaces . ... CCP7 --- Analysis of Astronomical Spectra . ... CCP11 --- Biosequence and structure analysis . ... None . ... SAL Home | Numerical Analysis | Source Code Repositories . ... SAL@KachinaTech.COM . ...

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• SAL- Other Scientific Fields - Chemistry, Biology Related - COLUMBUS
• SAL -- Scientific Applications on Linux -- New Items Added in 1998/11 and
• SAL- Other Scientific Fields - Chemistry, Biology Related - MOPAC

... Experimental and theoretical study of structure and evolution of hadrons under extreme conditions at high energies . ... Physics of the solar wind, interplanetary magnetic field and solar-terrestrial relations . ... Neutron diffraction researches of nuclear and magnetic structure of new materials and its correlations with physical properties . ... Research of fractal structure of aluminosilicates gels by a method of small angle scattering of neutrons and synchrotrons radiations . ...

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• Key research directions
• Offered courses

... Кадровый состав . Обучение на кафедре . ... Введение в квантовую физику . FAQ для студентов . Информация о курсовых 2 курса . О кафедре . ... 23 / декабря 2013 . В понедельник, 23 декабря 2013 г. в 10-00 в конференц-зале КНО состоятся защиты дипломных работ студентов кафедры. 16 / декабря 2013 . В понедельник, 16-го декабря, в конференц-зале КНО состоится очередное, 734-е, заседание научного семинара кафедры квантовой электроники. ... 2003 2016 Кафедра квантовой электроники . ...

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This home page belongs to small group of scientists working at . Sternberg Astronomical Institute which is a part of Moscow State University . ... Электронная библиотека научно-технической и художественной литературы (доступна только из ГАИШ) . ... Local staff . Dr. Edward Kononovich (konon -at- sai.msu.ru), Associate Professor . ... Dr. Sergey Ayukov (asv -at- sai.msu.ru), Research Fellow, Webmaster of the group . ... Joint seminar of Solar Studies Structure Group and Solar Photometry Group . ...

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• Fortran and Pascal

The laboratory runs currently several scientific projects aimed at the foundations of quantum information science (the theories of quantum measurement and entanglement, design and analysis of quantum cryptographic protocols, atoms dynamics in optical dipole trap, etc.), applications of quantum theory to modeling quantum interference phenomena in multilevel atoms interacting with optical and magnetic fields (dark resonance spectroscopy), and exploring ... Physics 96 (4), 629-642 (2003). ...

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... Only by numerical simulation. ... moment T (K) Dipole moment (D) Experiment Other example: Diffusion constant 200 250 298 350 400 2.40 2.37 2.48 2.59 2.80 2.25 The Distribution functions: radial distribution function 1 g (r) = N t =1 j i N TS N pair ( r - rij ) The Distribution functions: radial distribution function CC def 2 Work mode ­ computer related 1) · Perform simulation , create trajectory file · Calculate properties timestep by timestep 2) · Perform ...

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• http://www.elch.chem.msu.ru/mole/lecture/poster.pdf
• Molecular aspects of solid state and interfacial electrochemistry

Databases (NSDC) of the Natural Planetary Satellites. ... NSDC: Database of astrometric observations of Natural Planetary Satellites . ... They are thoroughly looking for observations in different sources, creating their owndatabases which are then mostly inaccessible to other researchers. ... In the file "content" with explications, the reference is given to the data source as well as the bibliographic reference. ... Data sources. ... Why a specific bibliographic database for Natural satellites? ...

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• Y.Kupryakov, SAI, MSU

... Gussakovsky Eugene Fluorescence, Diffuse Reflectance and NIR Imaging in Cardiovascular Research and Diagnostics (Gussakovsky E., Kupriyanov V., Sowa M.) . ... Brazhe Aleksej Rudol'fovich Cell dynamics exposed in the light of interference microscopy (Brazhe A.R., Brazhe N.A., Maksimov G.V.) . Brazhe Nadezhda Aleksandrovna Mechanisms of nitric oxide influence on the membrane structures of the cell (Brazhe N.A., Maksimov G.V.) . ... Maksimov G.V.) . ...

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• MSM 2007

... Applications of Molecular Mechanics to Metal Complexes" . ... Molecular mechanics study of the mixed-ligand lanthanide complexes using Gillespie-Kepert model . ... Within MM-GK, the same parameters are applicable to complexes of different coordination numbers/polyhedra. ... Gillespie-Kepert model . ... Using derived computational parameters, we calculated the geometry of 39 lanthanide ion nonaaqua complexes, 6 octaaqua complexes and 18 beta- diketonate and aqua-beta-diketonate complexes. ...

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• Moscow State University: Analytical Chemistry Division

... If there's no significant multiple alignment , including the sequence, that you interest, then the secondary structure is built, using only the energy model (just the potential energy of the system is minimized), but very often such method will give unreliable results. ... It should be mentioned that by default, at alignment case, the RNA secondary structure will be predicted for the first sequence of the alignment. ... It is done through optimizing, not the real, but model energy of the structure. ...

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• Bioinformatics portal, Moscow State University
• The Russian EMBnet Node

... Structure, properties, and probable physiological role of small heat shock protein with molecular mass 20 kD (Hsp20, HspB6). ... This review is devoted to critical analysis of data concerning the structure and functions of small heat shock proteins with apparent molecular mass 20 kD (Hsp20). We describe the structure of Hsp20, its phosphorylation by different protein kinases, interaction of Hsp20 with other small heat shock proteins, and chaperone activity of Hsp20. ...

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• Molecular structure and dynamics of the dimeric human small heat shock protein
• The role of intrinsically disordered regions in the structure and functioning
• Effect of mutations in the beta5-beta7 loop on the structure and properties of