... Realization of molecular dynamics approach with rigid fragments for simulation of chemical reactions in biomolecular systems . Abstract We describe a new implementation of the molecular dynamics method targeting simulations of biomolecular systems in which chemical reactions may occur. ... Moscow University Chemistry Bulletin . 2007, Vol. ... 4, P. 219 . Copyright (C) Chemistry Dept., Moscow State University, 2002 . ... Copyright (C) Chemisty Department of Moscow State University . ...

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• Moscow University Chemistry Bulletin Vol. 48, No. 5 (2007)
• Moscow University Chemistry Bulletin Vol. 49, No. 6, P. 389 (2008)
• A Nonparametric Determination of the Internal Rotation Potential and Molecular

Russian Journal of Coordination Chemistry, Vol. ... The Molecular Mechanic Approach to Coordination Compounds: Force Field Based on the Gillespie-Kepert Model . ... Abstract - The set of parameters for calculating the geometry of coordination compounds is suggested on the basis of the molecular mechanic approach complemented by the Gillespie-Kepert model. ...

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• Study of amino- and pyridyl-containing zinc(II) and cadmium(II) complexes by
• Molecular Mechanics Calculations of beta-Diketonate, Aqua, And

... A Theoretical Approach to Nonlinear Propagation of Ultrasound Beams Using Higher-Order Parabolic Approximation . ... In particular, the analysis is restricted to sound fields near the source, where an ordinary parabolic equation fails to be applicable. ... Some numerical and experimental examples demonstrate that the model equation proposed is fully applicable to the theoretical analysis of focused beams from a concaved source with a half-aperture angle of about 30 degrees. ...

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• Abstract (Invited)

... A new method is proposed that makes it possible to determine the parameters of the three-dimensional (3D) multiwell potential of off-center atoms from extended X-ray absorption fine-structure (EXAFS) data. ... The parameters of the multiwell potential for Ge atoms in the Sn 1-x Ge x Te solid solution as functions of temperature and composition (77<T<300 K, x>0.4) were obtained in the classical approximation. ...

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• EXAFS studies of semiconductors and ferroelectrics
• Direct determination of the shape of potential well for off-center Ge atom in

Электронная библиотека Попечительского совета . ... Melnikova I.V. - Abstract Cauchy Problems: Three Approaches . ... Название: Abstract Cauchy Problems: Three Approaches . Автор: Melnikova I.V. Аннотация: . ... It brings together and examines three major approaches to treating such problems: semigroup methods, abstract distribution methods, and regularization methods. ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• John E. Reissner, William A. Steele - A collisional approach to the calculation
• Bachman G. - Elements of Abstract Harmonic Analysis :: Электронная библиотека
• Cordes H. - Elliptic Pseudo-Differential Operators - An Abstract Theory ::

Find Similar Abstracts . ... One-dimensional motion of collisionless particles in gasdynamic approximation . ... Physics of Fluids, vol. ... Plasma Physics . ... COLLISIONLESS PLASMAS, GAS DYNAMICS, MATHEMATICAL MODELS, PARTICLE MOTION, PLASMA DYNAMICS, DISTRIBUTION FUNCTIONS, GALACTIC EVOLUTION, PLASMA PHYSICS . ... Use: Authors Title Abstract Text Text Query with Keywords Return: Query Results Query Form Database: Astronomy Instrumentation Physics and Geophysics ABSTRACT QUERY USER FEEDBACK HELP ...

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• Contents
• Old neutron star distribution in the Galaxy
• Abstract

... Thu May 1 15:04:28 MSK 2014 . Previous message: [RU-NGI] Снова EMI2->EMI3 upgrade . Next message: [RU-NGI] Fwd: [Noc-managers] SAM central services migration . ... FYI -------- Original Message -------- Subject: ACAT2014 workshop Bulletin 2, abstract submission and registration opening Resent-From: Alexander.Kryukov at cern.ch Date: Thu, 1 May 2014 00:07:18 +0200 From: Milos Lokajicek lokajick at fzu.cz To: acat-info at cern.ch Dear Colleagues, It is our ...

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• calg:dubna07:abstracts [THEP]
• CA Seminar, 21 February, 2001
• calg:dubna07:abstracts - Old revisions [THEP]

An abstract-algebraic approach to the construction of computing environments to solve problems in object formulation" . Suvorov V.V. A method for solving mathematical and applied problems in object-oriented representation is proposed. ... A computing environment is created whose dynamics is controlled by the functional and predicative components of the problem's object content. ... Keywords: abstract-algebraic approach, object formulation, data self-transformation, system-creating principle . ...

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• "Calculations of interactions in biomolecular systems: comparison of quantum
• "Simulation of bubble dynamics in three-dimensional potential flows on
• "Acceleration of molecular dynamics simulations using the fast multipole method

Выберите категорию обращения: Общие вопросы Отчеты Рейтинги Диссертационные советы Конкурсы Ввод данных Структура организаций Пользователи Проблемы с регистрацией\входом в систему . ... Войти в систему . ... Galstyan A. , Chuluunbaatar O. , Hamido A. , Popov Yu V. , Mota-Furtado F. , O'Mahony P.F. , Janssens N. , Catoire F. , Piraux B. в журнале Physical Review A - Atomic, Molecular, and Optical Physics , издательство American Physical Society (United States) , том 93, ? ...

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• Burt Stanley - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Abstracts of Papers of the American Chemical Society - журнал | ИСТИНА -
• Vishnevskiy Y.V. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического

... On approximation of inverse problems for abstract hyperbolic equations // Taiwanese Journal of Mathematics. 2010. ... This paper is devoted to the numerical analysis of inverse problems for abstract hyperbolic differential equations. ... Ключевые слова: abstract differential equations, abstract hyperbolic problems, $C_0$-semigroups, $C_0$-cosine operator functions, Banach spaces, semidiscretization, inverse overdetermined problem, well-posedness, difference schemes, discrete semigroups. ...

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• S. Piskarev. Shadowing in approximations of abstract parabolic equations //
• Approximation of Abstract Differential Equations
• Piskarev S.. The dichotomy in approximations of abstract parabolic equations //

... Journals . Memoirs of the Faculty of Physics . Moscow University Physics Bulletin . ... The conference papers from the School-Seminar ?Waves-2014? will be submitted for publishing in the Memoirs of the Faculty of Physics journal. ... Moscow University Physics Bulletin was founded in 1946 by Lomonosov Moscow State University and the Faculty of Physics. ... World-known physicists working at the Faculty of Physics (including 8 Nobel laureates) used to be and are the authors of the journal. ...

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... A.V. Chetvertukhin, M.I. Sharipova, A.G. Zhdanov, T.B. Shapaeva, T.V. Dolgova, and A.A. Fedyanin . ... A. I. Musorin, P. V. Perepelkin, M. I. Sharipova, A. V. Chetvertukhin, T. V. Dolgova, and A. A. Fedyanin . ... Margarita I. Sharipova, Alexander I. Musorin, Tatyana V. Dolgova, Andrey A. Fedyanin . Ultrafast dynamics of Faraday rotation in thin films" . ... Sharipova M.I., Musorin A.I., Dolgova T.V., Inoue M., Fedyanin A.A. "Ultrafast Dynamics of Faraday Rotation in Magnetophotonic Crystals" . ...

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... Supercomputing Technologies in Science, Education and Industry Almanac Series . ... Technological Institute for Superhard and Novel Carbon Materials . ... Therefore, in solving the problems will be applied as specialized methods for the study of polyatomic structures - the method of empirical potentials Brenner . ... AREA: Condensed Matter Physics, Theoretical Physics, Physical Chemistry . ... Moscow State Uiversity . ... Research Computing Center (RCC) of Lomonosov Moscow State University . ...

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• APPLICATIONS: Plasma Physics | Moscow University Supercomputing Center
• APPLICATIONS: Organic Chemistry | Moscow University Supercomputing Center
• APPLICATIONS: Informatics | Moscow University Supercomputing Center

... Lectures, Questions & Answers . ... Evgeny V. Antipov (Faculty of Chemistry, Moscow State University) New cathode materials for lithium batteries . Questions and Answers . ... Questions . Vladimir I. Feldman (Faculty of Chemistry, Moscow State University) Physics and chemistry of solvated electron . ... Galina A. Tsirlina (Faculty of Chemistry, Moscow State University) Diversity of electrochemistry: the specific problems of molecular models and their experimental verification . ...

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news ]] . ... Highlight news: CompHEP is in the top rating list on The OpenScience Project . ... 16/03/2009 New official version of CompHEP (4.5.1) is available. ... 14/11/2006 Two new versions of CompHEP-PYTHIA interface (cpyth-1.2.7 and cpyth-2.0.4) are available. ... 13/09/2006 A new version of CompHEP-PYTHIA interface and a new interface CompHEP-HERWIG has been released. ... 01/07/2006 Talk on new physics with CompHEP by M.Dubinin at Tools for SUSY and the New Physics (LAPP, 26-28 June 2006). ...

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... Sukhachev D.V., Pivina T.S., Zhokhova N.I., Zefirov N.S., Zeman S. QSPR Approach to the Calculation of Rate Constant of Gomolysis of Nitro Compounds in Different State of Aggregation: 1. ... Zhokhova N.I., Baskin I.I., Palyulin V.A., Zefirov A.N., Zefirov N.S. Fragmental Descriptors in QSPR: Application to Molecular Polarizability Calculations. ... Zhokhova N.I., Baskin I.I., Palyulin V.A., Zefirov A.N., Zefirov N.S. Fragmental Descriptors in QSPR: Flash Point Calculations. ...

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• Seminar in Polymer Physics
• Publication list, Olga Shamardina
• Publications

О лаборатории . ... Лаборатория теоретической биофизики . ... PyMol is a powerful drawing instrument and here we show how to plot Fukui function with PyMOL after two calculation steps with FireFly (PC-GAMESS). continue reading.. ... Given a molecular object name and QM part selection name (which can be defined using either approach available in PyMol) it generates output file with corresponding input groups. ... All-atom automatic OPLS-AA topology generator . ... 2011 ERG Research Group . ...

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• toolset ERG Research Group: Лаборатория теоретической биофизики
• python ERG Research Group: Лаборатория теоретической биофизики
• Peter Mamonov ERG Research Group: Лаборатория теоретической биофизики

... РЕФЕРАТЫ СТАТЕЙ ПО РУКОКРЫЛЫМ / ABSTRACTS OF BAT ARTICLES . Молекулярная филогенетика семейства рукокрылых Vespertilionidae / Molecular phylogenetics of the chiropteran family Vespertilionoidae : Hoofer, S. R., Van Den Bussche, R. A. ? ... Murininae и Kerivoulinae ? ... Leuconoe , Selysius и Myotis ? ... Phylogenetic analysis of ribosomal gene sequences provides well-supported resolution for vespertilionid relationships across taxonomic levels. ...

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• Molecular Phylogenetics of the genus Scotophilus - abstract
• Molecular phylogenetics of Yangochiroptera - abstract
• Familial-level divergence of Cistugo - abstract

... This information is needed for description of interaction of atom and ion with charge particles and photons. ... The project calculations are based on variational method and wave function expansion in a linear combination of hydrogen - like functions with effective charges. wave function of atoms, wave function of ions, cross section calculations, helium-like, variational method, Hartree - Fock, excited states, ionization, single excitation, double ionization, double excitation . ...

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Environment Reconstruction Based on Soil Characteristics of the Lower Cycles of the Archaeological Site of Wallertheim (Rheinhessen, Germany) - A Soilscape and Soil System Dynamics Approach . Roger LANGOHR, Judit BESZE-DEAK, Soil Science Unit, Univ. ... The distribution gradient of various types of secondary carbonates permit a reconstruction of the paleotopography and paleoenvironment of the Last Interglacial alluvial plain. ... Back to the Abstracts list ...

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