... 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

SAI 175 anniversary . ... Moscow University . Search for in SAI Moscow University Search for in Russian astronomical resources . ... SAI Astronomical Databases . ... Browse SAI Software archive(ftp.sai.msu.su) . ASTRONET.RU - Russian Astronomical Network (available in translit also) . ... SAI Supernovae Research Group . ... Department of the Galaxy and Variable Stars (in Russian) . Sternberg Astronomical Institute Seminars . ... All-Russian Astronomical Olympiad (in Russian) . ...

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• SAL- Other Scientific Fields - Chemistry, Biology Related - SCORE

... The first-order intermolecular perturbation theory developed in the frame of diatomics-in-molecule approach is used to calculate the potential energy surfaces of the Ar.. Cl2 complex in the states which correlate with the X0g+ and B0u+ states of Cl2 fragment. ... Laboratory of Molecular Structure and Quantum Mechanics ...

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• Molecular mechanics calculations of beta-diketonate, aqua, and
• PC Crystal Chemistry Analysis of Organic Crystal Structures
• On The Force Field Parameters For Metal Ion Coordination Sphere in Molecular

... 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: Optics and Quantum Electronics | Moscow University Supercomputing
• APPLICATIONS: Engineering Sciences and Mechanical Engineering | Moscow
• APPLICATIONS: Structure and Dynamics of Atomic-Molecular Systems | Moscow

... Laboratory-Division Quantum Electrodynamics of Self-Organizing Systems and Dynamical Properties of Time . ... The Problems of Quantum Electrodynamics . ... The Hamiltonian theory of interacting electromagnetic and. electron-positron fields is proposed, both in unbounded absorptive dispersive media and in media separated from the vacuum by plane boundary. ... Radiative and Nonradiative Quantum Transitions of Electron in the Field of Plane Electromagnetic Wave and Constant Homogeneous Magnetic Field ....

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• Laboratory-chair of causal mechanics
• Laboratory-chair of modelling the natural references of time
• Institute Laboratory-Chairs

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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• History and personal contributions

... 18 27 апреля 2016 года . ... СЕМИНАР ПО МЕХАНИКЕ СПЛОШНЫХ СРЕД . В среду, 13 апреля 2016 г., в кинозале Института механики МГУ в 12.00 состоится очередное заседание семинара по механике сплошных сред под руководством А.Г. Куликовского, В.П. Карликова и О.Э. Мельника. ... версия для печати 2016-04-07 . ... 260 заседание семинара ?Физико-химическая кинетика в газовой динамике? состоится в четверг 07 апреля 2016 года (11 часов, кинозал Института механики МГУ) . ... НИИ механики МГУ, 2002 2016. ...

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... 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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• Грант подробно

... Государственный Астрономический Институт имени П.К. Штернберга МГУ . ... Семинары ГАИШ . ... Государственный астрономический институт им. П.К.Штернберга (ГАИШ) научно-исследовательский институт, являющийся одним из подразделений МГУ им. М.В. Ломоносова . ... 11 декабря 2006 года исполнилось 175 лет со дня создания на Пресне Астрономической обсерватории Московского университета, ставшей впоследствии базой для формирования Государственного астрономического института им. П.К. Штернберга (ГАИШ МГУ). ...

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... Institutes of Chernogolovka . The largest of all the scientific institutions of the center is the Institute of Chemical Physics in Chernogolovka , where fundamental problems of chemical physics are studied: kinetics and mechanisms of chemical and biological processes; processes of combustion, explosion, and polymerization; and mechanisms of elementary reactions involving high energy particles. ... Developments and Technologies . ...

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Электронная библиотека Попечительского совета . ... Schwerdtfeger P. - Relativistic Electronic Structure Theory: Applications, Vol. ... Название: Relativistic Electronic Structure Theory: Applications, Vol. ... Автор: Schwerdtfeger P. Аннотация: . ... Part 1 was devoted to fundamental aspects of relativistic electronic structure theory whereas Part 2 covers more of the applications side. ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Irkhin V.Yu., Irkhin Yu.P. - Electronic Structure, Correlation Effects and
• Wolf E.L. - Nanophysics and nanotechnology. An introduction to modern concepts
• Yersin H. - Electronic and vibronic spectra of transition metal complexes I ::

... Results . ... Functional scheme of information flows under model studies of biosystems structure. ... Members of the group together with other Institutes of the RAS and departments of different Ministries (Education and Sciences, Natural resources and Agricultural) have created the pilot versions of the basic WEB-oriented information systems, which are actively used by many users in the global net of Internet. ...

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• A.N. Severtsov Institute of Ecology and Evolution (IPEE RAS): News
• A.N. Severtsov Institute of Ecology and Evolution (IPEE RAS): News: News:
• A.N. Severtsov Institute of Ecology and Evolution (IPEE RAS): Site News: Site

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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• NPIDB project. Introduction
• Molecular biology databases
• DNA/RNA-Protein structures

MCQDPT vs. XMCQDPT: low-lying excited states of O3 molecule Ilya G. Ryabinkin1 , Laboratory of Quantum Mechanics and Molecular Structure, Chemistry Department of Moscow State University, 119991, Leninskie Gory 1-3, Moscow, Russia. ... XMCQDPT: low-lying excited states of O3 Introduction: A brief overview of MCQDPT theory Reliable, cost-effective alternative to other multi-reference (MR) approaches, such as MR-CI(+Q), ic -MRCI, MR-AQCC and MR-ACPF. ... XMCQDPT: low-lying excited states of O3 ...

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• http://classic.chem.msu.su/gran/gamess/largescale.pdf

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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• V.A.Baturin - Home Page at Sternberg Astronomy Institute, MSU

EFFECTIVE FIELD THEORY FOR PHASE TRANSITION OF PROTEIN MACROMOLECULE INDUCED BY FORCE Meilikhov E.Z., Farzetdinova R.M. Kurchatov Institute, Kurchatov Sq., ... Our aim is to describe analytically the process of protein mechanical unfolding. ... We have studied (in the framework of the effective field theory) the phase transition of a protein macromolecule from the elastic state to the plastic one, which arises from mechanical stretching. ...

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• http://www.mce.biophys.msu.ru/archive/doc61145/eng.pdf
• MCE-2016

... Michail A. Ormont Research activity of the group is related to the theory of transport and optical properties of disordered semiconductors, in particular, the disorder effects in systems of reduced dimensionality. Studies of phonon-assisted hopping transport include the theory of hopping in quasi-one- and quasi-two-dimensional systems and hopping thermoelectric effects. ... Anisotropy in hopping conductivity of quasi-one-dimensional systems. ... Electronic Superstructures in Doped Superlattices. ...

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• Local field and optical second harmonics generation in polar Langmuir-Blodgett
• First-principles calculations of physical properties of crystals
• Effect of hydrostatic pressure on phase transitions in perovskite-like

Laikov, D. N. Intrinsic minimal atomic basis representation of molecular electronic wavefunctions. International Journal of Quantum Chemistry, n/a. doi: 10.1002/qua.22767 . ... The resulting effective minimal atomic basis is intrinsic to the molecular problem and does not need a free-atoms input. ... Ключевые слова: Model Hamiltonian; minimal atomic basis; transferable integrals; localized orthogonalization; parametrized electronic structure ...

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• Sulimov Vladimir CV

Effective Algorithm of Charge State Determination in Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectra of Humic Substances Erast V. Kunenkov1, Andras Gaspar2, Alexey S. Kononikhin3, Philippe Schmitt-Kopplin2, Irina V. Perminova1 ... ESI FTICR mass spectrum of HS contains about ten thousands of peaks in mass range 250­1200 Da (the most intensive peaks are usually located near 400 Da) with tenths of peaks, appeared at each nominal mass with high regularity. ...

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• http://www.mgumus.chem.msu.ru/publication/2010/2010-kazachkov-optimization.pdf
• Humates NATO ARW Home Page
• MGUMUS -- Current projects

... 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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