... An approach to the hybrid quantum mechanical and molecular mechanical (QM/MM) theory based on the effective fragment potential (EFP) technique (M. Gordon and co-authors) for modeling properties and reactivity of large molecular systems of biochemical significance is being developed. Currently we are preparing a novel version of the computer program based on the most recent variant of the PC GAMESS quantum chemistry package (A. A. Granovsky) and the TINKER molecular modeling package (J. Ponder). ...

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• Laboratory of Chemical Cybernetics
• History

Электронная библиотека Попечительского совета . ... Carr R.W. - Modeling of Chemical Reactions. Vol. ... Название: Modeling of Chemical Reactions. ... Автор: Carr R.W. Аннотация: . Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Warshel A. - Computer modeling of chemical reactions in enzymes and solutions
• van Boekel M.A.J.S. - Kinetic modeling of reactions in foods :: Электронная
• Salsa S. - Partial Differential Equations in Action: From Modelling to Theory

On this page you can compute thermodynamics, opacity and nuclear reaction rates for conditions which exist inside the Sun. ... Logarithmic partial derivative dlogP/dlogT (hi_t) . Logarithmic partial derivative dlogP/dlogRHO (hi_rho) . Logarithmic partial derivative dlogP/dlogX (hi_x) . Logarithmic partial derivative dlogU/dlogT (ksi_t) . ... Input field size does not limit the amount of data entered; you can type or paste thousands of lines (10,000 lines tested with output size over 5MB). ...

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Previous article . Next article . ... Algorithms of the flexible effective fragments for modeling transformations in active sites of enzymes . ... Moscow University Chemistry Bulletin . 2010, Vol. ... 6, P. 427 . Copyright (C) Chemistry Dept., Moscow State University, 2002 . ... Copyright (C) Chemisty Department of Moscow State University . ... Web-design: Copyright (C) MIG and VVM . ...

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• Exciplexes of 9-Cyanophenantrene With Electron Donors. Solvent Effect of
• Moscow University Chemistry Bulletin Vol. 47, No. 3, P. 159 (2006)
• Determination of Reaction Rate Constants in Micelles. A Comparison of the

Выберите категорию обращения: Общие вопросы Отчеты Рейтинги Диссертационные советы Конкурсы Ввод данных Структура организаций Пользователи Проблемы с регистрацией\входом в систему . ... Войти в систему . ... Khrenova Maria G. , Savitsky Alexander P. , Topol Igor A. , Nemukhin Alexander V. в журнале Journal of Physical Chemistry B , издательство American Chemical Society (United States) , том 118, ? ... Topol Igor , Collins Jack , Polyakov Igor , Grigorenko Bella , Nemukhin Alexander . ...

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• Journal of Chemical Information and Modeling - журнал | ИСТИНА -
• Journal of Molecular Graphics and Modelling - журнал | ИСТИНА -
• Slin'ko MM - сотрудник | ИСТИНА - Интеллектуальная Система Тематического

... Mathematical modeling of multicomponent gas flows with energy intensive chemical processes by the example of ethane pyrolysis" . Stadnichenko O.A., Snytnikov V.N., and Snytnikov Vl.N. A mathematical model describing the three-dimensional gas flow dynamics in a laboratory reactor with diffusion, heat transfer and chemical reactions of the hydrocarbons pyrolysis with their thermal effects and thermal processes is proposed. ...

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• "Development and application of software for the agent model optimization"
• Numerical modeling of air-jet flows under the action of an input-exhaust system
• "Parallel constrained global optimization for mathematical modeling of chemical

Research topics . ... This group is formed to study the reactions at semiconductor surfaces. ... Group members: . ... M.V. Lomonosov Moscow State University: . ... Dr. Tatiana S. Zyubina, senior scientific researcher (quantum chemical modeling) . ... Joint Semiconductors Surface Study group: research sketches . The Joint Semiconductors Surface Study (JSSS) group was developed on the base of Inorganic Chemistry division, Chemistry dept. of M.V. Lomonosov Moscow State University. ...

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Electron and proton impact ionization of atoms and molecules . Theory of few-body Coulomb scattering This is one of the major topics in the research activity of our laboratory. ... Electron momentum spectroscopy (EMS) EMS is the (e,2e) method involving high incident energy and large momentum transfer. ... We develop a theory of the single- and double-ionization EMS processes in atomic and molecular systems. ... c) Laboratory of mathematical models of quantum scattering processes, 2012 . ...

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... Medium (solvent) coordinates 3. Quantum effect of solvent on activation barrier 4. ... sucrose solutions: C D ( w) = + + 1 + (iw C ) 1 + iw water-EG mixtures: D 3 1 2 ( ) = + + + 1 + i 2 1 1 + i 2 2 1 + i 2 3 series N solvent modes Solvent reorganization energy (exact expansion ) correlation times K ( ) = 2k BT Solvent correlation function i =1 N i exp (- / ) * i i =1 N i = 1 i is the contribution of i-th mode to the solvent reorganization energy The solvent reorganization ...

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• Molecular aspects of solid state and interfacial electrochemistry

... Nonlinear Models of Waves in Granulated Partially Wet Media . ... The effect discovered recently means that relatively weak waves of low frequency can change stability of small drops in flows through porous space. ... The simplest explanation is connected with solid friction at the grain contacts and crack edges emitting high frequency waves at any deformation of the material matrix. ... Their roles and effects are changing with gas saturation and depend also on the form of gas presence. ...

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• Abstract

CHIMP . CHIMP is a generic tool for the modeling of chemical phenomena. Eventually, chemical reaction modeling, molecular mechanics, and quantum mechanic modules will be implemented, along with an easy to use graphical-user interface (GUI). ... Current Version: Not yet available . ... Available Binary Packages: . ... None . ... SAL Home | Other Scientific Fields | Chemistry, Biology Related . ... SAL@KachinaTech.COM . ...

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• SAL- Other Scientific Fields - Chemistry, Biology Related - Gaussian
• SAL- Other Scientific Fields - Miscellaneous Software
• SAL- Other Scientific Fields - Artificial Intelligence - Swarm

... The basic core of the COMAGMAT-5.2 (2013) program includes the algorithm that has been used in previous versions of the COMAGMAT model (ver. 3.0-3.5) designed to simulate mafic magma crystallization processes . ... Ariskin A.A., Bychkov K.A., Danyushevsky L.V., McNeill A.W., Barmina G.S., Nikolaev G.S. (2012) COMAGMAT-5: a new magma crystallization model designed to simulate mafic to ultramafic sulfide-saturated systems. ... Contact ariskin@geokhi.ru . ... Ariskin A.A., Barmina G.S., Frenkel M.Ya., ...

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• Dictionary_M
• MODELING CRYSTALLIZATION DIFFERENTIATION FOR BASALT MAGMAS, Ariskin, COMAGMAT,
• Informal geological society (RSG SG )

... Laboratory of Mathematical Methods of Image Processing . ... Ringing effect . Modeling . ... The behavior of ringing effect produced by different image processing algortihms can be different. ... The necessary step for the development of ringing detection and suppression algorithms is creating the ringing database with ringing effect introduced by various image processing algorithms. ... We use the following image processing algorithms and methods that produce synthetic ringing effect: . ...

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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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• overview [CompHEP]
• extra:model:main [CompHEP]

... Recently a wide class of nonlocal cosmological models based on the string field theory and the p -adic string theory attracts a lot of attention and are actively developed. ... The interest in cosmological models related to open string field theory is inspired by the possibility of obtaining solutions describing transitions from a perturbed vacuum to the true vacuum (rolling solutions). ... Vernov, Cosmological perturbations in SFT inspired nonlocal scalar field models , 2009, arXiv:0903.5176 . ...

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• QFTHEP'2004 Proceedings. Editors: M.N. Dubinin and V.I. Savrin
• Definition of a model in CompHEP
• Implementation of models of particle interactions

D. Chechin, C. Luepkes, I. Repina. Mesoscale modelling of an off-ice flow in the Arctic marginal sea ice zone with different spatial resolution. Abstracts of reports on 11th Conference on Polar Meteorology and Oceanography, 2 - 5 May 2011, Boston, USA. ... In order to investigate the effect of spatial resolution on the energy exchange between ocean and atmosphere, a case of an off-ice flow, a wind flow regime being typical for the Arctic marginal sea ice zone, was simulated. ...

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• R. I. Podlovchenko 'Finitc Models and Algebraic Model of Programs'//
• D.Moss, D.Sokoloff, R.Beck, Ram pressure effects in the galactic plane and
• Moss D., Sokoloff D., Beck R., Ram pressure effects in the galactic plane and

1 Faculty of Physics, Moscow State University, Moscow 119899, Russia; 2 Soil Science Faculty, Moscow State University, Moscow 119899, Russia . ... To estimate soil response to acid deposition we compared the soil field data along a pollution gradient and simulated time effects. ... Time response of soils to acid deposition was evaluated with the SMART model. According to field observations there is no evidence for strong soil acidification effects close to the smelter. ...

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• WEATHERING RATE AND SOIL SOLUTION CHEMISTRY
• Polluting metals in Russian terrestrial ecosystems: chemistry, dynamics, and
• LONG-TERM RESPONSE OF FOREST SOILS TO ACID DEPOSITION

Title Authors Key words Methodological bases of personal qualities research of managers and personnel selection for the public service, security personnel, managers of industrial enterprises A.A. Oseev, A.A. Oseev personal qualities of effective leaders of the civil service, the security sector, industrial enterprises , verification of Weber 's types of social action in empirical models of ...

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THE MODEL OF ICHFAN ACTIONS ON THE ERYTHROCYTES MEMBRANES UPON THE WIDE DIAPASON OF CONCENTRATIONS Olga M. Alekseeva, Liudmila D. Fatkullina, Alexander N. Goloshchapov, Elena B. Burlakova, and Yuri A. Kim1 Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, ul. ... Probably, amphiphils at the wide diapason of concentrations can be converted from classical micelles to the supramolecular structures. ... At this case, amphiphils integrated to the membrane. ...

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• Modeling of the processes connected to nucleon cluster effects
• Quantum ? chemical functioning model of the ferredoxin iron ? containig cluster
• Conference publications

... The Krebs cycle (also called the citric acid cycle or tricarboxylic acid cycle) is a series of biochemical reactions in a cyclic pathway. The overall reaction carried out the Krebs cycle is the oxidation of one molecule acetate (as acetyl-CoA) to two molecules of carbon dioxide with concommitant reduction of one molecule of FAD and three molecules of NAD (per rotation of the cycle). ... We have made some drastic approximations our results agree rather qualitatively with experimental results. ...

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• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/183.pdf
• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/131.pdf
• http://mccmb.belozersky.msu.ru/2015/proceedings/abstracts/14.pdf