... 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

Выберите категорию обращения: Общие вопросы Отчеты Рейтинги Диссертационные советы Конкурсы Ввод данных Структура организаций Пользователи Проблемы с регистрацией\входом в систему . ... Войти в систему . ... Kolesnikova Inna N. , Dorofeeva Olga V., Karasev Nikolay M. , Heinz Oberhammer , Shishkov Igor F. в журнале Journal of Molecular Structure , издательство Elsevier BV (Netherlands) , том 1074, с. 196-200 . ...

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• Journal of Molecular Structure - журнал | ИСТИНА - Интеллектуальная Система
• Hargittai I. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Samdal S. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического

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
• Springborg M. - Methods of Electronic-Structure Calculations: From Molecules to
• Schwerdtfeger P. - Relativistic Electronic Structure Theory: Applications, Vol.

... 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

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

... 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

... 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

... 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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• CLUSTERS AND EXTENDED METAL-META
• Diploma
• Inorganic Chemistry Division

... 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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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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• Local field and optical second harmonics generation in polar Langmuir-Blodgett
• EXAFS studies of the local structure of In in PbTe, SnTe and GeTe
• An EXAFS study of the local structure of the PbxSn1-xS solid solution

... Supercomputing Technologies in Science, Education and Industry Almanac Series . ... Technological Institute for Superhard and Novel Carbon Materials . ... Therefore, in solving the problems will be applied as specialized methods for the study of polyatomic structures - the method of empirical potentials Brenner . ... AREA: Condensed Matter Physics, Theoretical Physics, Physical Chemistry . ... Moscow State Uiversity . ... Research Computing Center (RCC) of Lomonosov Moscow State University . ...

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• APPLICATIONS: Inorganic Chemistry | Moscow University Supercomputing Center
• APPLICATIONS: Optics and Quantum Electronics | Moscow University Supercomputing
• APPLICATIONS: Astronomy | Moscow University Supercomputing Center

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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... 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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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

... 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

HOW DOES CRYSTAL CHEMISTRY PREDICT STRUCTURE AND PROPERTIES OF CRYSTALS V. S. URUSOV Crystal chemistry has created a set of methods and procedures to predict structure and properties of crystals. ... З. л. мкмлйЗ еУТНУ,ТНЛИ ,,УТЫ ТЪ,ВММњИ ЫМЛ,В ТЛЪВЪ ЛП. е.З. гУПУМУТУ, ї м ЫТУ, З.л., 1997 . ... мкмлйЗ З.л. дДд дкалнДггйпаеаь икЦСлдДбхЗДЦн лнкмднмкм.. ... 1 мкмлйЗ З.л. дДд дкалнДггйпаеаь икЦСлдДбхЗДЦн лнкмднмкм а лЗйвлнЗД дкалнДггйЗ 43 . ... Ti4+ 2 -, 1 : 2 , . 2 --2 - Ti4+-Ti4+) , (2 --Ti4+). ...

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• http://cryst.geol.msu.ru/staff/elbel.php

... 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

... Molecular structure and dynamics of the dimeric human small heat shock protein HSPB6. ... ATP-independent small heat-shock proteins (sHSPs) are an essential component of the cellular chaperoning machinery. ... We addressed the three-dimensional structure and functional properties of HSPB6 in a hybrid study employing X-ray crystallography, solution small-angle X-ray scattering (SAXS), mutagenesis, size-exclusion chromatography and chaperoning assays. ...

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• Structure, properties, and probable physiological role of small heat shock
• The role of intrinsically disordered regions in the structure and functioning
• Structure, properties, and functions of the human small heat-shock protein

... 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: Result explanation
• RNA Kinetics: Theory