The main purpose of the new MCQDPT2 code is to speed up calculations in the cases of medium to large basis sets and medium to large active spaces using resolvent fitting (aka table-driven) approach. ... In the latter cases it is recommended to use the default PC GAMESS/Firefly' MCQDPT2 code. ... P2P Parallel Mode Communication Interface, Dynamic Load Balancing, and large-scale MP2 Energy code . New MP2 gradient code documentation . PC GAMESS/Firefly' NBO code . ...

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• PC GAMESS/Firefly DOCUMENTATION - TDDFT
• PC GAMESS/Firefly DOCUMENTATION - CI SINGLES
• PC GAMESS/Firefly DOCUMENTATION - Quantum Fast Multipole Method

О лаборатории . ... Лаборатория теоретической биофизики . ... This script allows one to visualize normal modes, calculated with GROMACS package, using PyMol . ... This will produce an object named ?obj-ID?, contaning 20 frames of the system oscillating along selected normal mode. Also the normal modes list is printed once again. ... 1 комментарий " Normal modes visualization for PyMol " . ... I made a modified version for visualizing quasi-harmonic modes. ... 2011 ERG Research Group . ...

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• Visualize partial charges in PyMol ERG Research Group: Лаборатория

... Supercomputing Technologies in Science, Education and Industry Almanac Series . ... Octoshell: Lightweight and Innovative Cluster Management System . ... Performance System Analysis . ... CLEO: User&Admin-Friendly Cluster Batch System . ... The development of Octoshell system was inspired . by MSU Supercomputing Center administrators . ... The key features of the Octoshell system . ... Center of Moscow State University. ... Research Computing Center (RCC) of Lomonosov Moscow State University . ...

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EXAFS Study of the Local Environment of Pb Impurity in CaTiO3, SrTiO3 and BaTiO3 A.A. Veligzhanin2, A.I. Lebedev1, V.V. Mischenko1, I.A. Sluchinskaya1 and A.A. Chernyshov2 1 Moscow State University, Moscow, 119992, Russia 2 RRC Kurchatov Institute, Moscow, 123182, Russia e-mail: swan@scon155.phys.msu.su Ferroelectric properties of perovskite solid solutions are studied extensively for many years. ... The EXAFS spectra were analyzed in the conventional way [3]. ... Ferroelectric crystals. ...

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• http://semiconductors.phys.msu.ru/publ/PhysSolidState_56_1039.pdf

... In diesem Zusammenhang haben wir uns zwar nicht explizit mit der Entwicklung eines Begriffs von ziviler Gesellschaft besch ftigt. ... F r beide Aspekte sind internationale Kontakte und damit der Austausch von Erfahrungen wichtig. ... Als Ausgangsbasis f r die Sammlung und Verwertung internationaler Erfahrungen sind zun chst Analysen ber die Situation im eigenen Land und Beschreibungen der Zielsetzungen f r die gesellschaftlichenVer nderungen, hier den Aufbau einer zivilen Gesellschaft, notwendig. ...

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Current Issue About us Editors Board of Editors Guidelines Contacts . ... 2015 . ... Submit your article . ... Ph.D., associate professor, School of Public Administration, Lomonosov Moscow State University. ... Those risks are primarily associated with pollution: chemically altered composition of water, air pollution, formation of landfill sites, noise pollution, etc. ... This article outlines such trends as eco-tourism, the emergence of eco-settlements, eco-cities, as well as eco-countires. ...

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Diploma thesis abstract Laser ultrasonic evaluation of the mechanical properties of polymer composite parts. ... In this work influence of porosity and matrix concentration on ultrasound velocity in carbon fiber-reinforced plastic composite samples and constructions was considered. Using laser-ultrasound method sound velocity was measured for fiber, matrix, composite samples with different fiber direction and for composite panel. ...

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... This study examined the role of plasma lipids in the regulation of erythrocyte membrane viscosity, oxyHb content as well as Na+/H+ exchange and Ca2+-ATPase, whose activities are altered in patients with CVD. Both oxy-Hb content and erythrocyte membrane fluidity were decreased in essential hypertension and coronary artery disease patients and negatively correlated with plasma cholesterol but not triglyceride content. ...

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• http://www.mce.biophys.msu.ru/archive/doc65675/eng.pdf
• http://www.mce.biophys.msu.ru/archive/doc57284/doc.pdf

... As it follows from direct calculations of mass splitting between components of the triplet, its neutral component is the lightest. Due to smallness of the splitting all possible coannihilation processes of this Technicolor Dark Matter were taken into account in analysis of the Dark Matter relic abundance formation. The scenario predicts value of B-baryons mass 1 TeV and gives strong relation between some model parameters which can be interesting for the LHC. ...