Documentation on Firefly v. 8.0.0 numerical gradient features . The numerical gradient code is activated as follows: . ... The primary purpose of this code is to allow computations normally requiring analytic energy gradients, to be performed using those QC methods for which analytic gradients are not yet programmed. ... The numerical gradients code is tightly integrated into Firefly and can be used anywhere where the analytical energy gradients are required by default. ... The default is 2. ...

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• Firefly Home Page
• Firefly/PC GAMESS DOCUMENTATION - XMCQDPT2
• Firefly DOCUMENTATION - command line arguments

Modeling distribution of polymerized anions on the liquidus of the Na 2 O-SiO 2 system . In previous studies, we have presented a STRUCTON computer program designed for statistical simulations of molecular-size distribution of Si-anions in polymerized silicate melts ( Polyakov , Ariskin , 2008). ... in the Na 2 SiO 3 melt. ... Ariskin A.A., Polyakov V.B. Simulation of molecular mass distributions and evaluation of O 2- concentrations in polymerized silicate melts // Geochemistry International. ...

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• http://geo.web.ru/conf/alkaline/2009/Ryabchikov.htm
• http://geo.web.ru/conf/khitariada/5-2000.2/hydroterm17a.eng.pdf
• http://geo.web.ru/conf/alkaline/2009/Gorbachev.htm

... PREFACE Temkin Mikhail (Menassii) Isaakovich 16.09.1908­01.10.1991 DOI: 10.1134/S1023193509090018 Mikhail Isaakovich Temkin, an outstanding scientist who made a great deal in the field of physical chemistry and chemical physics, was born September 16, 1908 in Belostok (Russia; now Bialystok, Poland). ... In 1978, Temkin was awarded the State Premium of the USSR in the field of science and technology for the elaboration of kinetic models of industrial heterogeneous catalytic reactions. ... Khim. ...

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• Laboratory of Electrical Double Layer and Electrode Kinetics
• Alexander M. Kuznetsov
• Oleg A. Petrii

Preconcentration Laboratory . Laboratory of Chromatography . ... Laboratory of Kinetics Methods of Anaysis . ... Sorption-spectroscopy methods for determination of organic . ... Room-temperature ionic liquds, computational chemistry . ... New detection methods in ion and ion-pair chromatography . ... For that purpose, methods of selective preconcentration are developed along with the methods of determination of analytes directly in the sensing film or in the permeate after membrane diffusion. ...

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... About lab . ... Online Journal "Computer graphics and multimedia" (in russian) . ... Edge Detection Using Reaction-Diffusion Equation with Variable Diffusion Coefficient . ...

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... This presentation is licensed for use under the terms of the Globus Toolkit Public License. ... Setting the Foundation l Strategies for the Globus Toolkit ­ Layered architecture, protocols APIs l Naming conventions ­ Functions, variables, structures, etc. l Installation tree structure ­ Where things get installed l Source tree structure ­ Where things come from March 25, 2002 Globus ToolkitTM Developer Tutorial : Basics 2 ...

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• http://acat02.sinp.msu.ru/presentations/pose/talk.doc
• http://acat02.sinp.msu.ru/presentations/morhac/ACAT2002_Morhac_ID142.pdf
• http://acat02.sinp.msu.ru/presentations/GGtut/Dev-05-Communication1.pdf

О лаборатории . ... Лаборатория теоретической биофизики . ... In our previous article (<a href=? http://erg.biophys.msu.ru/wordpress/archives/706 ? ... Here we generalize this technique for the љtwo-dimensional space. ... Let us demonstrate how the discrete Laplacian is used in explicit scheme of solving the reaction-diffusion system . ... Нет комментариев " Reaction-diffusion systems in 2D space with python " . ... Reaction-diffusion systems in 2D space with python . ... 2016 ERG Research Group . ...

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• comcon1 ERG Research Group: Лаборатория теоретической биофизики
• OPLS-AA patch for different types of molecules ERG Research Group: Лаборатория

Title Author Key words Nevskaya T.A. Hybrid wars' information component hybrid war, aspects of hybrid warfare, information warfare The war of the new generation ­ hybrid war, the information component which is directed not so much on the direct destruction of the enemy, how to achieve the goals without warfare. Fighting in the information field is no less important than immediate military action. Abstract

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The Octotron Approach: Towards Autonomous and Reliable Operation of Supercomputers Alexander Antonov, Dmitry Nikitenko, Pavel Shvets, Sergey Sobolev, Konstantin Stefanov, Vadim Voevodin, Vladimir Voevodin, Sergey Zhumatiy Research Computing Center, Lomonosov Moscow State University, Moscow, Russia {asa,dan,shpavel,sergeys,cstef,vadim,voevodin,serg}@parallel.ru 1 Introduction ... 2 The Octotron System: Model-based Approach Octotron represents the supercomputer model in the form of a graph (Fig. ...

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• Octotron: Active Control for Reliable Functioning of Supercomputers | Moscow
• APPLICATIONS: Astronomy | Moscow University Supercomputing Center

Optimization of Femtosecond Laser-induced Plasma for Initiation of Nuclear Reactions Annotation The graduation work is dedicated to the diagnostics of plasma generated by a high-intensity femtosecond laser radiation onto the surface of solid target. ... In our experiments the plasma was generated by pulse generated by Ti:Sa laser system (40 fs, 800 nm, I > 1018 W/cm2). ... At laser intnsity of 2в1018 W/cm2, the mean energy of the hot electrons raised from 300 keV to 2.5 MeV. ...

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• http://ofvp.phys.msu.ru/en/science_education/diploma/annot/2010/Shtokolov_Pelivanov_en.pdf
• http://ofvp.phys.msu.ru/en/science_education/diploma/annot/2010/Seval'nev_Emel'yanov_en.pdf
• Laboratory of solid-state lasers and coherent spectroscopy

... Allowing User Functions at Process Termination . ... There are times in which it would be convenient to have actions happen when an MPI process finishes. For example, a routine may do initializations that are useful until the MPI job (or that part of the job that being terminated in the case of dynamically created processes) is finished. This can be accomplished in MPI-2 by attaching an attribute to MPI_COMM_SELF with a callback function. ... Центры . ...

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• MPE_Print_datatype_unpack_action | PARALLEL.RU - Информационно-аналитический
• MPE_Print_datatype_pack_action | PARALLEL.RU - Информационно-аналитический
• Naming Conventions | PARALLEL.RU - Информационно-аналитический центр по

... В рамках направления "Идеи" возможно выполнение двух из шести типов проектов: . ... Starting researcher grant (StG) - специальные гранты для поддержки молодых ученых на начальной стадии становления их научной карьеры и создания их собственных независимых научных групп. ... Максимально возможный размер гранта - 2 млн. евро на срок до 5 лет. ... Proof of concept (PoC) - новый тип грантов для ученых, уже имевших гранты направления 'Идеи' 'Starting Researcher Grant' или 'Advanced Investigators Grant'. ...

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Features of frustration reactions in norm and pathology: a case study of affective disorders » . ... Cross-cultural and intrafamilial consistency of autobiographical memory characteristics: a comparative study of Russian and Azerbaijan students ( ) Levels of one's own mistakes' analysis in problem solving tasks done by students ( ) AMAS strategies of psychological defense in alcoholics .. ... Peculiarities of works of art perception in students with different value orientations « » .. ...

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• http://www.psy.msu.ru/science/psyrussia/2009/sergienko.pdf
• http://www.psy.msu.ru/science/psyrussia/2013-2/zinchenko_pr_2013_2.pdf
• http://www.psy.msu.ru/science/psyrussia/2012/strelkov.pdf