... Russian J.Phys.Chem., v. 70(4). p. 600-604 (1996); translated to English from Zh.Fiz.Khim., v. 70(4). p. 647-651 (1996) . ... The model approach, based on the continual approximation, have been developed for calculating of dipolar and dispersion molecular interactions contributions to the functions of liquid-vapour equilibria (Gibbs energy, enthalpy, entropy) of molecular liquids, as well as to the corresponding ones of mixing. ...

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• Moscow University Chemistry Bulletin Vol. 53, No. 2, P. 81 (2012)
• Moscow University Chemistry Bulletin Vol. 43, No. 5, P. 304 (2002)
• The Molecular Structure of 2-Chloroacrolein Studied by Gas Electron

... CompHEP Models. ... CompHEP is based on an idea of the physical model. ComHEP Models are very simular to physical models in high energy physics, like Standards Model or MSSM. ... Two of them are versions of the Standard Model (SU(3)xSU(2)xU(1)) in the unitary and t'Hooft - Feynman gauges. ... Standard Model in Feynman gauge . ... This output can be written in LaTeX format and in the form of CompHEP model files, which allows one to start calculations of processes in the new physical model. ...

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Calculations of interactions in biomolecular systems: comparison of quantum and classical approaches" . Bazhanova Z.G., Khrenova M.G., Nemukhin A.V. Methodical aspects of molecular mechanics, quantum chemistry, and combined quantum mechanics/molecular mechanics (QM/MM) approaches are discussed with respect to the intermolecular interaction calculations between some aminoacids (arginine, histidine, and serine) and water molecules. ... PostScript (in Russian) (1.28MB) . ...

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• "A continuum solvent model: the DISOLV program - algorithms, implementation,

... Alexandrowicz Z. - Entropy Calculated from the Frequency of States of Individual Particles . ... Название: Entropy Calculated from the Frequency of States of Individual Particles . ... Entropy is related to the frequency of states for individual particles. ... The ratio of the frequencies of two local states involved in a spin-flipping conflgurational transition is related to an entropy change. ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Xiang H.W. - The Corresponding-States Principle and Its Practice:

О лаборатории . ... Лаборатория теоретической биофизики . ... This script allows one to visualize normal modes, calculated with GROMACS package, using PyMol . ... This will produce an object named ?obj-ID?, contaning 20 frames of the system oscillating along selected normal mode. Also the normal modes list is printed once again. ... 1 комментарий " Normal modes visualization for PyMol " . ... I made a modified version for visualizing quasi-harmonic modes. ... 2011 ERG Research Group . ...

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• Peter Mamonov ERG Research Group: Лаборатория теоретической биофизики
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Hybrid States of Surface and Tamm Plasmon-Polaritons in Photonic Crystals B.I. Afinogenov, V.O. Bessonov, I.V. Soboleva, and A.A. Fedyanin Lomonosov Moscow State University, 1 Leninskie gory, 119991 Moscow, Russia afinogenov@nanolab.phys.msu.ru Abstract: Experimental observation of Tamm plasmon-polariton (TPP) and surface plasmonpolariton (SPP) hybrid mode in metal/photonic crystal system is reported. Interaction bet ween TPP and SPP leads to repulsion of their dispersion curves. ...

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• http://nanolab.phys.msu.ru/sites/default/files/iconolat.pdf

... SDPfox - the software package for the prediction of functional specificity groups and amino acid residues that determine the specificity using MPA. ... Amino acid residues that determine differences in protein functional specificity and account for correct recognition of interaction partners, are usually thought to correspond to those positions of a protein multiple alignment, where the distribution of amino acids is closely associated with grouping of proteins by specificity. ...

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• SDPsite - Algorithm Format requirements
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Modeling distribution of polymerized anions on the liquidus of the Na 2 O-SiO 2 system . In previous studies, we have presented a STRUCTON computer program designed for statistical simulations of molecular-size distribution of Si-anions in polymerized silicate melts ( Polyakov , Ariskin , 2008). ... in the Na 2 SiO 3 melt. ... Ariskin A.A., Polyakov V.B. Simulation of molecular mass distributions and evaluation of O 2- concentrations in polymerized silicate melts // Geochemistry International. ...

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• Trusov Sergey's homepage The influence of boundary layer effects on the melt
• The influence of boundary layer effects on the melt inclusions compositions.

Ionization Dynamics of Atoms Exposed to Strong Laser Pulses: Semi­Analytical Model at Low Field Frequencies Yu.V. Popov Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State University Collaboration B. Piraux, A. Hamido. ... INTRODUCTION AND MOTIVATIONS Keldysh has introduced the adiabaticity parameter = (2Ip)1/2/E where is the laser field frequency, E, the field amplitude, and Ip the ionization potential of the atom. ... Both of them, multiphoton processes and tunnel ionization play a role. ...

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• http://lmmqsp.sinp.msu.ru/mat/present_ICPEAC_popov.pdf

A program for alignment of structures of DNA-protein complexes . ... Help . ... StructAlign is a program for alignment of DNA-protein complexes' structures. The program gets a pair of complexes of DNA double helix with proteins in PDB-format and optionaly names of protein chains and outputs an alignment of DNA chains corresponding to the best spatial fit of protein chains also in PDB-format. ... X-axis is directed from P atom to C1' atom. ...

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... 7, 10253, 2005 SRef-ID: 1607-7962/gra/EGU05-A-10253 © European Geosciences Union 2005 Enhanced detoxifying ability of the specifically oxidized humic derivatives with respect to copper V.A. Kholodov (1), N.A. Kulikova (1), G.F. Lebedeva (1), A.N. Kovalenko (2) and I.V. Perminova (2) (1) Department of Soil Science ... Experimental Section Humic materials used; methods of their oxidation and characterization. ... Toxicity of copper was estimated using seedling technique. ...

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• http://www.mgumus.chem.msu.ru/publication/2009/2009-sorkina-study.pdf
• MGUMUS -- Researches

System parameters on Digital UNIX . ... Digital and Cray use the number of bytes as the KIND -parameter. ... LOGICAL Default byte word KIND number = 4 1 4 LOGICAL Default double quad KIND number = 4 8 16 INTEGER int15 int31 int63 KIND number = 2 4 8 digits = 15 31 63 radix = 2 2 2 range = 4 9 18 huge = 32767 2147483647 9223372036854775807 bit_size = 16 32 64 REAL single double quad KIND number = 4 8 16 digits = 24 53 113 maxexponent = 128 1024 16384 minexponent = -125 -1021 -16381 ...

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PC GAMESS/Firefly TIME DEPENDENT HARTREE-FOCK MODULE $TDHF group required when RUNTYP=TDHF required when CITYP=TDHF For description of $TDHF group for RUNTYP=TDHF frequency-dependent (hyper)polarizabilities calculations please refer to the generic documentation. The only related point which should be mentioned here is that starting from the PC GAMESS v. 7.0 build # 3448, TDHF and DFT code were extended to allow calculation of static and dynamic (hyper)polarizabilities using runtyp=tdhf. ...

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• Firefly/PC GAMESS DOCUMENTATION - LARGE SCALE CI, MCSCF, and QDPT2

... Revision Log . ... When you browse the repository, it's always possible to query the Revision Log view corresponding to the path you're currently seeing. ... It's possible to set the revision at which the revision log should start, using the View log starting at field. ... It's also possible to indicate that one wants to see what happened before a Copy or Rename change, by selecting the Follow copies mode. ... Clicking on this column refreshes the revision log so that it restarts with this change. ...

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• TracFineGrainedPermissions тАУ Tanchiki
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Выберите категорию обращения: Общие вопросы Отчеты Рейтинги Диссертационные советы Конкурсы Ввод данных Структура организаций Пользователи Проблемы с регистрацией\входом в систему . ... Войти в систему . ... Belenkaya E.S. , Cowley S.W.H , Meredith C.J. , Nichols J.D. , Kalegaev V.V. , Alexeev I.I. , Barinov O.G. , Barinova W.O. , Blokhina M.S. в журнале Annales Geophysicae , издательство Copernicus Gesellschaften (Germany) , ? ...

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• Szcz??niak Ma?gorzata M. - сотрудник | ИСТИНА - Интеллектуальная Система
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• Beutier G. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического

with Materials Atoms Nuclear Instruments and Methods in Physics Research B 256 (2007) 21­23 www.elsevier.com/locate/nimb Energy and charge distributions of fast nitrogen ions reflected from metal surface at grazing incidence N.V. Novikov a, Ya.A. Teplova a a,* , V.V. Bondurko b D.V. Scobeltsin Institute of Nuclear ... Moscow 119992, Russia b Moscow Engineering and Physics Institute, Moscow 115409, Russia Available online 12 January 2007 Abstract Energy and ...

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• http://danp.sinp.msu.ru/LAS/Teplova05.pdf
• http://danp.sinp.msu.ru/Articles_GSIB/nimb_sputteryield_sizeclasterion.pdf

... The suggested algorithm tries to solve the problem of the detection of hydrophobic clusters corresponding to spatial areas occupied exclusively or mainly by non-polar groups of atoms, in a given 3D structure of protein or macromolecular complex. ... The vertices of each connected component that contains not less than m non-polar groups form a hydrophobic cluster. ... The found hydrophobic clusters, ordered in accordance to the number of non-polar groups, form the output of the algorithm. ... PHE . ...

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• ETS_hydrophobic_interactions
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... Interaction of Radial and Forward Pulses of Cavitation Bubbles . ... At fast collapse the effective transmitting of radial energy into forward one takes place. ... So, if heat exchange, lose of sphericity, interaction with other bubbles and flows of liquid are taken into consideration additionally, in the field of progressive sound waves Tmax <= 1000 K. While one observes smooth forward motion of cavitation bubbles, they jump for every fast collapse and stay immovably during remaining time. ...

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Next: tin Configuration Up: The Network Administrators' Guide Previous: nntpd Interaction with C-News . Newsreaders are intended to offer the user functionality that allows her to access the functions of the news system easily, like posting articles, or skimming the contents of a newsgroup in a comfortable way. The quality of this interface is subject of endless flame wars. ... One of the most effective newsreaders is $ find /var/spool/news -name '[0-9]*' -exec cat {} \; | ...

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• nntpd Interaction with C-News
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... Department . ... Department of the Automation for Scientific Research (ASR) was founded in 1988 on the basis of research and teaching group of the Mathematical Physics Department (former Department of Computational Mathematics). ... Under his guidance the department performs wide spectrum of research in the field of computer simulation of complex systems and processes. ... https://cs.msu.ru/node/1707 . ... 2008?2016 ASR Department , CMC Faculty , Lomonosov MSU . ...

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• The ASR Department at the CMC Faculty of Lomonosov MSU | Department of the
• The ASR Department at the CMC Faculty of Lomonosov MSU
• Prof. Dmitry P. Kostomarov at the Differential Equations and Topology