... 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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• Study of amino- and pyridyl-containing zinc(II) and cadmium(II) complexes by

... Semiempirical model is developed for studying the electronic structure of the rare gas atom - halogen molecule systems. It is formulated in the frame of diatomics-in-molecule (DIM) approach and takes explicitly into account strong spin-orbit coupling pertinent to heavy halogen molecules. The consistent DIM scheme is realized for intermolecular interactions, whereas the description of valence electronic states of halogen molecule is more approximate being based on the asymptotic wave functions. ...

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• Structure and Interaction Energies of the Ar...Cl2 Complex. Application of the
• Moscow University Chemistry Bulletin Vol. 45, No. 1, P. 51 (2004)
• Molecular mechanics calculations of beta-diketonate, aqua, and

Электронная библиотека Попечительского совета . ... Yersin H. - Electronic and vibronic spectra of transition metal complexes I . ... Название: Electronic and vibronic spectra of transition metal complexes I . ... H.-H. Schmidtke, Vibrational Progressions in Electronic Spectra of Complex Compounds Indicating Strong Vibronic Coupling.- P.E. Hoggard, Sharp-Line Electronic Spectra and Metal-Ligand Geometry.- ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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Brownian simulation of electron transfer dynamics" . Feskov S.V. Several algorithms for the numerical simulation of electron transfer reactions in condensed media within the framework of the generalized Zusman model are considered. ... The work was supported by the Russian Foundation for BasiЯ Research (project N 08?03?00534). Keywords: Brownian simulations, diffusive trajectory, chemical dynamics, electron transfer . ... PDF (in Russian) (332KB) . PostScript. zip (in Russian) (332KB) . ...

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• "Computation of contribution from the cavity effect to protein-ligand binding
• "Calculation of molecular complexation free energy by thermodynamic integration
• "Calculation of optimal coefficients for quadrature formulas by the complete

... 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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... In order to compare the number of different evolutionary stages obtained and X-ray luminosity of the chosen X-ray sources with the observed galactic values we use the sum of C/O+O/C , where C and O are the calculated and observed values of a given binary type, respectively. If we make comparison for a number of different binary species (for example, we compare the number of CV, number of X-ray pulsars,   total X-ray luminosity of LMXB, etc.), we write this criterion in the form: . ...

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... 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: Electronics and Acoustics | Moscow University Supercomputing

Cxc . cxc is a (console) calculator that works pretty much like a TI-83. It can handle trig. and hyp. functions, calculations with complex numbers, statistics, stored variables, switching between radians and degrees, comparing expressions, and much more. ... Home Site: . http://home.swipnet.se/johnahlgren/software/calculator.html . ... Available Binary Packages: . ... None . ... User Comments: . ... SAL Home | Mathematics | Misc . ... Copyright 1995-2000 by Herng-Jeng Jou . ...

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• SAL- Other Scientific Fields - Chemistry, Biology Related - COLUMBUS
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• APOD: 2001 February 26 - Sand Dunes on Mars

Next: What is a Mail Up: The Network Administrators' Guide Previous: Log Files . One of the most prominent uses of networking since the first networks were devised, has been electronic mail. ... Basically, this is still what email is all about, although an ever growing net with its complex routing requirements and its ever increasing load of messages has made a more elaborate scheme necessary. ... Both smail and sendmail support a set of configuration files that have to be customized. ...

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• MySQL Reference Manual for version 3.23.10-alpha. - 21 How MySQL compares to

THERMODYNAMIC PROPERTIES OF CaO-Al2O3 MELTS Shornikov S.I. Center of Isotopic Research, Karpinsky All-Russian Geological Institute (VSEGEI), SaintPetersburg s_shornikov@hotmail.com Key words: CaO-Al2O3 system, thermodynamic properties of melts, theory of ideal solutions of complex components Thermodynamic properties of the CaO-Al2O3 are of interest in ceramic and cement technologies, as well as in metallurgy and material science. ...

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• http://geo.web.ru/conf/alkaline/2009/ZaitsevV4.htm
• http://geo.web.ru/conf/alkaline/2009/Yakovleva_et_al.htm

... The factors that play the key role in complex formation are as follows: the rate of protein diffusion to the docking site; long-range electrostatic interactions between protein surfaces, geometric and chemical complementarity of binding areas; molecular mobility at the protein­protein interphase, hydrogen bonds, Van der Waals interactions, hydrophobic interactions, and salt bridges. ... Three-dimensional protein molecules are constructed on the basis of data extracted from the Protein Data Bank. ...

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• http://www.library.biophys.msu.ru/PDF/80522.pdf

... Tel. 8(495)9368912, e-mail: roukkn@inbox.ru The thermodynamic model [1] developed for quantitative estimating cooperativity in supramolecular polymetallic assemblies has been applied to monometallic coordination complexes with neutral and anionic ligands and CN = 4, 6, as well as to octahedral complexes with bidentate ligands. ... Optimized parameter values for both models have been calculated by means of a least-squares fit in application to lgn. ...

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The method of gene expression analysis in complex morphological systems A.V. Klepikova, N.V. Demidenko, M.D. Logacheva, A.A. Penin M.V. Lomonosov Moscow State University, Moscow, Russia , annklepikova@gmail.com, demidenkonatalia@gmail.com, maria.log@gmail.com, alekseypenin@gmail.com Investigation of gene expression level is a powerful approach in functional genetics. ... 2010) Identification of genes correlated with early stage bladder cancer progression, Cancer Prev Res (Phila), 3(6):776­786. ...

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• http://mccmb.belozersky.msu.ru/2015/proceedings/abstracts/126.pdf
• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/120.pdf
• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/34.pdf

... Criteria of branch quality . As it was repeatedly told , phylogenetic trees consist from branches. ... I. e., those positions, which can separate sequences of the branch from other sequences in the alignment. ... Measure of branch separation . ... Here and further: A - branch of the tree, i , j - sequences of alignment . ... That's why number of conserved positions in some branch should be considered in complex with the distribution of conserved positions in the whole alignment. ...

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... Ivanovo State University . My experience as a Fulbright scholar in the USA gave me an ample opportunity to compare the structure, functions and modes of self-identification in the US and Russian academic communities. Overall, the American university system seemed more flexible and capable of self-adjusting to the demands of the moment. ... Though Russia is far behind the USA in technology and electronic media, we still can adopt some American educational technologies. ...

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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 . ...

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• Klos J. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
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PHP Manual . ... int dbx_compare ( array row_a, array row_b, string columnname_or_index [, int flags]) . ... This function is EXPERIMENTAL . ... Returns 0 if row_a[$columnname_or_index] is equal to row_b[$columnname_or_index], 1 if it is greater and -1 if it is smaller (or vice versa if the DBX_CMP_DESC flag is set). The flags can be set to specify comparison direction (whether sorting is ascending or descending) and comparison type (force string or numeric compare by converting the data). ...

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• version_compare
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NAME: Iofa Mikhail Zinovievich. ... Examined BRST Ward Identities (WI) in path-integral and operator approaches to string theory and related problems. In the case of the standard conformal gauge, in path-integral approach, on string world sheets of higher genus, by direct calculation the WI were shown to be anomalous, the anomaly being due to noninvariance of the integration domain over the antighosts and auxiliary fields under the BRST transformations. ... iofa@theory.npi.msu.su ...

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• Numerical calculation by CompHEP
• Stratified sampling
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On the 3th of November a report of Drozdov Alexander, manager of Intel Corp. in Russia was presented on the seminar "Mathematics of computers, chips, and electronic circuits". ... Cadence Design Systems, Inc. and Intel, Corp. supports this seminar. ... The main purposes of this seminar are the following: . ... The seminar implements scientific and technical contacts for both domestic and foreign experts in the field of design and use of electronic computing systems. ... Seminar organization: . ...

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... List of complexes . List of structures of RNA-protein and DNA-protein complexes . ... Experimental method: all X-RAY DIFFRACTION SOLUTION NMR ELECTRON MICROSCOPY FIBER DIFFRACTION SOLUTION NMR; THEORETICAL MODEL SOLUTION NMR; SOLUTION SCATTERING . Kind: all rna dna hybrid . ... HYDROLASE/DNA . X-RAY DIFFRACTION . ... dna . ... RNA BINDING PROTEIN/RNA . ... rna . ... HYDROLASE/RNA/DNA . ... HYDROLASE/RNA . ... TRANSFERASE/RNA/DNA . ... TRANSFERASE/DNA/RNA . ... NPIDB team 2003 - 2016 . ...

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• NPIDB: Home
• NPIDB: Interaction
• NPIDB: 5DPK structure