... 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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• Structure and Interaction Energies of the Ar...Cl2 Complex. Application of the
• On the Structure and Dielectric Properties of
• Dielectric Properties and Molecular Structure of the Liquid Unsaturated

Routing on lattice-cellular structures" . Ryabov G.G. An extension of the class of lattice graphs is considered. In order to become close to the Euclidean metric, inclusion of additional ribs with weights equal to the corresponding lengths of vectors in the Euclidean space is performed in a neighborhood on the lattice. ... An algorithm for constructing a set of the shortest paths on such a lattice is proposed. ... PostScript (in Russian) (6.04MB) . PDF (in Russian) (710KB) . ...

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• "Implementation of parallel calculations on graphics processor units in the
• "Discretization of Navier-Stokes equations on moving unstructured meshes"
• "Simulation of a molecular structure formation as a result of thermal

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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CalcHEP is a package for automatic calculations of elementary particle decay and collision properties in the lowest order of perturbation theory (the tree approximation). ... The CalcHEP package consists of two parts: symbolic and numerical ones. The symbolic part generats codes for a squared matrix element which are used in the numerical calculations. The symbolic part of CalcHEP lets the user: . ... convolute the squared matrix element with structure functions and beam spectra. ...

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• Menu 6.
• Structure of LanHEP input file
• QCD Lagrangian

Выберите категорию обращения: Общие вопросы Отчеты Рейтинги Диссертационные советы Конкурсы Ввод данных Структура организаций Пользователи Проблемы с регистрацией\входом в систему . ... Structure показать полностью.. ... Str , J. of Molecular Structure , J.Mol.Struct , J.Molecular Structure , Journal Molecular Structure , Journal of Molecular Structure, . ... Panchenko Yu N. , Abramenkov A.V. в журнале Journal of Molecular Structure , издательство Elsevier BV (Netherlands) , том 1108, с. 618-622 DOI . ...

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• Oberhammer H. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Hargittai I. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Samdal S. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического

Prediction of physical properties of materials based only on their chemical composition has long been an intriguing task. ... The main interests of Prof. Lebedev 's group are physical properties of crystals exhibiting structural instability, in which different phase transitions (including the ferroelectric one) can appear. ... A.I. Lebedev. ... Physics of the Solid State 51 , 362 (2009) ; e-print arXiv:1305.0240 (2013) ; [local copy] . ... Physics of the Solid State 51 , 2324 (2009) ; [local copy] . ...

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• EXAFS studies of the local structure of In in PbTe, SnTe and GeTe
• Time evolution of an incommensurate structure of Rb2ZnCl4 in uniaxial

... 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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... Algorithm & . Format requirements . ... SDPsite is a tool for identification of protein active and other functional sites, based on spatial clustering of SDPs (specificity-determining positions, described here ) with CPs (conserved positions). ... Mapping predictied positions onto structure and construction of the best cluster . ... The input data of the algorithm are a multiple protein alignment divided into specificity groups . ... is called statistical significance of the set of k* positions . ...

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• RNA Kinetics: Theory

... 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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... 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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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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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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• ConClus

... 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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Электронная библиотека Попечительского совета . ... Dykstra C.E. - AB Initio Calculation of the Structures and Properties of Molecules . ... Название: AB Initio Calculation of the Structures and Properties of Molecules . Автор: Dykstra C.E. Аннотация: . This book is intended as a guide to the ab initio calculation of molecular structure and properties. ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Peters C.A., Steenbrink J.H. - Mixed Hodge Structures :: Электронная библиотека
• Schwerdtfeger P. - Relativistic Electronic Structure Theory: Applications, Vol.
• Springborg M. - Methods of Electronic-Structure Calculations: From Molecules to

... Head of Biochemistry department, Corresponding Member of Russian Academy of Sciences, Doctor of Science . ... The first line of investigation, started in mid-1980s, deals with analysis of the structure and properties of proteins involved in regulation of contractile activity of different muscle (troponins I and T, caldesmon, calponin). ... The third direction of investigation deals with the investigation of the structure and properties of human small heat shock proteins. ... Biochemistry. ...

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• Structure and properties of chimeric small heat shock proteins containing
• Molecular structure and dynamics of the dimeric human small heat shock protein
• Structure, properties, and functions of the human small heat-shock protein

Z.G. Bazhanova, Yu.I. Tarasov, D.M. Kovtun, A.I. Boltalin, B.K. Novosadov, and I.V. Kochikov. A quantum chemical study of the structure of fluorinated silver acetate(I) monomers and dimers // J. Struct. Chem. 2010. ... 409-418. Quantum chemical calculations of the equilibrium structure, potential energy surface cross-sections along the nonrigid degrees of freedom of (CF3COOAg)2, (CHF2COOAg)2, (CH2FCOOAg)2, and (CH3COOAg)2 dimers and the corresponding monomers are presented. ...

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• Beck R., Frick P., Stepanov, R., Sokoloff D. Recognizing magnetic structures by
• Voevodin Vladimir CV

International Laser Center of MSU . ... Home 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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Synthesis, Biological Activity and Detoxifying Properties of Carbonylated Humic Substances Sergey Li1, Kamila Kydralieva1, Natalia Kulikova2, Irina Perminova2, Sharipa Jorobekova 1 1 Institute of Chemistry and Chemical Technology, NAS KR, Chui pr. ... MATERIALS AND METHODS Humic acids (HA) of oxidized brown coal of two Kyrgyz deposits (Kara-Keche and Kyzyl-Kiya) were used as parent material for subsequent modifications. ... SEC-profiles of the parent humic material and carbonylated derivatives. ...

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• http://www.mgumus.chem.msu.ru/publication/2005/kholodov-enchanced-2005.pdf
• MGUMUS -- Researches

... 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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• A.N. Belozersky Institute of physico-chemical biology MSU
• vanyushin_dept
• DIMACS Series in Discrete Mathematics

... 3, March, 1997 609 .. ... 6, 816 [Chem. ... J. Chem_, 1967, 20, 2715. ... Received Janua~ 9, 1997 Unexpected reaction of 6-nitroindolizine with dimethyl acetylenedicarboxylate A. L Zinin and E, V. Babaev* M. F~ Lomonosov Moscow State University, Chemist~ Department, 119899 Moscow, l:orob'evy Go~'. ... E-mail: eugene@babaev.chem.msu.su It is known that indolizines readily enter into the socalled [8+2l-cycloaddition reactions allowed by orbital symmet~' rules 1-4 to form cycl[3.2.2]azine derivatives. ...

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• http://www.chem.msu.ru/eng/misc/babaev/papers/093e.pdf
• http://www.chem.msu.ru/eng/misc/babaev/papers/072e.pdf
• http://www.chem.msu.ru/eng/misc/babaev/papers/082e.pdf