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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• Hargittai I. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Samdal S. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Sipachev V.A. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического

... 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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• Molecular Structure and Conformations of Bicyclopentyl, C5H9-C5H9, as Studied
• PC Crystal Chemistry Analysis of Organic Crystal Structures
• Structure and Interaction Energies of the Ar...Cl2 Complex. Application of the

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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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

... Simulation of a molecular structure formation as a result of thermal disruption in amorphous carbon" . ... The IBM BlueGene/P supercomputer installed at the Faculty of Computational Mathematics and Cybernetics of the Lomonosov Moscow State University was used. Keywords: multiscale quantum molecular dynamics codes, phase transition in amorphous carbon, phase change memory, nanotechnology, supercomputer IBM BlueGene/P. PDF (Full text in Russian, References in English) (1.58MB) . ...

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• "Speeding up the solution of coupled heat transfer problems on unstructured
• "Data structuring and formalization in the hybrid database on molecular
• "High-resolution difference schemes of flux calculation and their application

... 11:00-11:30 Break 11:30-12:00 Lecture 3 Prof . Heinz Oberhammer , Institute of Physical and Theoretical Chemistry , University of Tubingen, Germany Structures and Conformations of Disilacyclohexanes 12:00-12:30 Lecture 4 Prof . Ingvar Arnason , University of Iceland, Iceland Energetics and Potentional Energy Surfaces of Disilacyclohexanes 12:30-13:00 Lecture 5 Prof . Igor Godunov, Chemistry Department , MSU , ...

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... Supercomputing Technologies in Science, Education and Industry Almanac Series . ... Octoshell: Lightweight and Innovative Cluster Management System . ... AREA: Inorganic Chemistry . ... Moscow State Uiversity . ... USAGE: Fundamental science - inorganic chemistry, solid state chemistry, materials science . AREA: Inorganic Chemistry, Physical Chemistry, Structure and Dynamics of Atomic-Molecular Systems . ... Research Computing Center (RCC) of Lomonosov Moscow State University . ...

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• APPLICATIONS: Theoretical Physics | Moscow University Supercomputing Center
• APPLICATIONS: Optics and Quantum Electronics | Moscow University Supercomputing

Protein Structure Software . Dr. Andrew C.R. Martin has written various programs and libraries for both general applicability and for use with protein structure. Here are the listings for programs: . ... ProFit -- Designed to be the ultimate(?) protein least squares fitting program. ... The author also developed an extensive library of C routines for the manipulation of protein structures. ... SAL Home | Other Scientific Fields | Chemistry, Biology Related . ... SAL@KachinaTech.COM . ...

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• SAL- Other Scientific Fields - Chemistry, Biology Related - MOPAC
• SAL- Other Scientific Fields - Chemistry, Biology Related - BRAGI
• SAL- Other Scientific Fields - Chemistry, Biology Related - WIEN97

... 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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• Molecular Mechanics Calculations of beta-Diketonate, Aqua, And

... 247th American Chemical Society National Meeting and Exposition "Chemistry and materials for energy" , March 16-20, Dallas, TX Talk: A.V. Nemukhin "QM/MM-based modeling of structure and spectra of fluorescent proteins" . ... IV International Symposium "Topical Problems of Biophotonics", July 21-27, Nizhny Novgorod Invited talk: M.G. Khrenova , A.V. Nemukhin, A.P. Savitsky "Molecular modeling of the Forster resonance energy transfer between fluorescent proteins" . ...

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• History
• Current Projects

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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• Physics of Semiconductors division: List of courses
• An EXAFS study of the local structure of the PbxSn1-xS solid solution
• Local field and optical second harmonics generation in polar Langmuir-Blodgett

... Synthesis, Crystal and Electronic Structure of Subvalent Metal Compounds . Head of the Group: Prof. B.A.Popovkin . Group Staff . ... Main research interests - design and synthesis of new inorganic compounds with isolated cluster fragments or low-dimensional extended systems of homo- or heteronuclear metal-metal bonds; the search for new compounds featuring drastic anisotropy of physical properties; determination of correlations between crystal and electronic structures of such compounds. ...

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• Petr S. Berdonosov
• CLUSTERS AND EXTENDED METAL-META
• Inorganic Chemistry Division

... Sinergetic has recommended itself in the most various areas: to physics, chemistry, biology, and even in public sciences. ... The purpose of research was the study of laws of heat transfer process in active environment, which is nonequilibrium and itself can give the contribution to change of temperature. ...

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• Magnetic system with regular structure

... История кафедры . ... младших курсов . ... Уважаемые студенты 1-го, 2-го и 3-го курсов! ... Семинар кафедры проходит по пятницам в 15.20 в комн. ... а также на стендах кафедры на 2-м и 4-м этажах. Информацию о более ранних событиях см. в разделе "Жизнь кафедры" . ... 119991, Москва, Ленинские горы, д.1, стр.2, МГУ имени М.В.Ломоносова, физический факультет, кафедра фотоники и физики микроволн . ...

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... Only by numerical simulation. ... moment T (K) Dipole moment (D) Experiment Other example: Diffusion constant 200 250 298 350 400 2.40 2.37 2.48 2.59 2.80 2.25 The Distribution functions: radial distribution function 1 g (r) = N t =1 j i N TS N pair ( r - rij ) The Distribution functions: radial distribution function CC def 2 Work mode ­ computer related 1) · Perform simulation , create trajectory file · Calculate properties timestep by timestep 2) · Perform ...

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• Molecular aspects of solid state and interfacial electrochemistry

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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... Географии мирового хозяйства . ... География" . ... Zilitinkevich, S.S., 1972: On the determination of the height of the Ekman boundary layer. Boundary-Layer Meteorol., 3, 141-145 (160 citations) . Zilitinkevich, S.S., 1975: Comments on "A model of the dynamics of the inversion above a convective boundary layer". ... Boundary-Layer Meteorol., 46, 367-387 (54 citations) . ... Boundary-Layer Meteorol., 81, 325-351 (52 citations) . ... Boundary-Layer Meteorol. 105, 389-409 (36 citations) . ...

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• journal 'GEOGRAPHY, ENVIRONMENT, SUSTAINABILITY'
• Вестник Московского университета. Серия 5. География

S .. ... a database of structures of DNA-protein and RNA-protein complexes. ... a program for finding hydrophobic clusters in 3D structures of macromolecules . ... search of conserved hydrophobic clusters in aligned 3D structures of protein families . ... a program for analysis of multiple alignments . ... a program for automatic detection of aligned blocks in a multiple protein alignment. ... a program for detection of aligned blocks in a multiple alignment of sequences of PDB chains. ...

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• Hydrophobic clusters
• Molecular biology databases
• S publications

Three-dimensional Transmission Electron Microscopy (3D-TEM) for the Characterization of Zeolite Supported Metal Catalysts A.H. Janssen, A.J. Koster*, U. Ziese*, A.J. Verkleij*, J. de Graaf, and K.P. de Jong Introduction Many solid catalysts are three-dimensional nano-structured materials. ... Scanning Tunneling Microscopy (STM) and Atomic Force Microscopy (AFM) can provide a surface image of a material with atomic resolution. ... Many images thus fill up the 3D Fourier Space. ...

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• Scientific and investigating activities

... wLake 1.7 . wLake is a tool which allows to identify clusters of a structural water molecules in given superimposed 3D structures. Put your coordinates in PDB format into the text area. Select a distance threshold. Two water molecules from different structures will be concidered as located in the same space point if the distance between centers of oxygen atoms is less than this threshold. ... EACH STRUCTURE INCLUDING ITS WATER MOLECULES MUST BE PRESENTED AS SEPARATE MODEL: EXAMPLE. ...

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• Geometrical core