Электронная библиотека Попечительского совета . ... Springborg M. - Methods of Electronic-Structure Calculations: From Molecules to Solids . ... Methods of Electronic-Structure Calculations From Molecules to Solids Michael Springborg Department of Chemistry, University of Konstanz, Germany Electronic-structure calculations of the properties of specific materials have become increasingly important over the last 30 years. ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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... Кадровый состав . Обучение на кафедре . ... Введение в квантовую физику . FAQ для студентов . Информация о курсовых 2 курса . О кафедре . ... 23 / декабря 2013 . В понедельник, 23 декабря 2013 г. в 10-00 в конференц-зале КНО состоятся защиты дипломных работ студентов кафедры. 16 / декабря 2013 . В понедельник, 16-го декабря, в конференц-зале КНО состоится очередное, 734-е, заседание научного семинара кафедры квантовой электроники. ... 2003 2016 Кафедра квантовой электроники . ...

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On the 3th of November a report of Drozdov Alexander, manager of Intel Corp. in Russia was presented on the seminar "Mathematics of computers, chips, and electronic circuits". ... Cadence Design Systems, Inc. and Intel, Corp. supports this seminar. ... The main purposes of this seminar are the following: . ... The seminar implements scientific and technical contacts for both domestic and foreign experts in the field of design and use of electronic computing systems. ... Seminar organization: . ...

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... An algorithm for calculating the equilibrium state of a ferromagnetic by the Lagrange multiplier method" . Izotov A,V., Belyaev B.A., Valikhanov M.M., Polenga S.V., Stefanyuk A.V. An efficient approach for calculating the equilibrium magnetization distribution in a discrete micromagnetic model of a ferromagnetic based on the Lagrange multiplier method is described. ... PostScript (in Russian) (5.37MB) . PDF (in Russian) (384KB) . PostScript. zip (in Russian) 1.94MB) . ...

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• "A study on efficiency of algorithms for calculating the flows bounded by
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• "Machine learning algorithms for analysis and categorization of electronic text

... 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
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• APPLICATIONS: Engineering Sciences and Mechanical Engineering | Moscow

... 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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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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• Theory of electronic properties of disordered semiconductors and systems with

... 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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... Ab initio calculations on several low lying excited electronic states of the OsO4 molecule and the isoelectronic IrO4+ are performed within the quasirelativistic effective core potential approach. ... The corresponding transition energy in OsO4 is estimated to be 34575 cm-1; this value is in excellent agreement with the experimentally observed energy 35000 cm-1 The spin-orbit splitting for all the states mentioned above are found to be rather small. Coordination Chemistry Laboratory ...

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• Moscow University Chemistry Bulletin Vol. 43, No. 6, P. 420 (2002)
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• Moscow University Chemistry Bulletin Vol. 55, No. 6, P. 360 (2014)

Next: What is a Mail Up: The Network Administrators' Guide Previous: Log Files . One of the most prominent uses of networking since the first networks were devised, has been electronic mail. ... Basically, this is still what email is all about, although an ever growing net with its complex routing requirements and its ever increasing load of messages has made a more elaborate scheme necessary. ... Both smail and sendmail support a set of configuration files that have to be customized. ...

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... 1. to describe the fauna of freshwater puddles on the White Sea islands and to compose the list of species, living there; . 2. to investigate the connection between species composition and abiotique (dimensions, location above the sea; p ; electro-conductivity) and biotique (vegetation, birds's influence) factors; . ... in the puddles with square of 4 or less square meters entomofauna was represented by small (less than 5 mm) beetles from family Direxsidea and from family of Corixsidea . ...

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• The employment of quantitative methods for the lake ecosystem research
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... PhDi . ... SOFTWARE PACKAGE FOR CALCULATIONS OF PHASE DIAGRAMS . elaborated and developed by laboratory scientists) . The software package contains a database of thermodynamic properties for about 200 systems and a software based on a so called convex hulls approach. ... binary systems in coordinates Temperature - Composition at fixed pressure and Pressure ? ... Colloquium on 24.12.12 20 Dec 2012 . ... Colloquium on 23.11.12 22 Nov 2012 . ... Laboratory of Chemical Thermodynamics . ...

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Arushanyan O.B., Volchenskova N.I., Zaletkin S.F. Calculation of expansion coefficients of series in Chebyshev polynomials for a solution to a Cauchy problem // Moscow University Mathematics Bulletin.2012. ... 211-216. ... The solution of such a system and its derivatives are expanded in shifted series in Chebyshev polynomials of the first kind. Algorithms to determine the expansion coefficients are described. ...

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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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COLUMBUS . COLUMBUS is a collection of programs for high-level ab initio molecular electronic structure calculations. The programs are designed primarily for extended multi-reference (MR) calculations on electronic ground and excited states of atoms and molecules. ... Though the multi-reference aspect of COLUMBUS is emphasized, single-reference calculations can also be carried out very efficiently. ... None . ... SAL Home | Other Scientific Fields | Chemistry, Biology Related . ...

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PHP Manual . Prev . Next . 3.0.7 - 3.0.18 only, PHP 4 >= 4.0.0) similar_text -- Calculate the similarity between two strings . int similar_text ( string first, string second [, float percent]) . This calculates the similarity between two strings as described in Oliver [1993]. ... By passing a reference as third argument, similar_text() will calculate the similarity in percent for you. It returns the number of matching chars in both strings. ...

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... J.K. Krylov . In the monography by R. Koehler [1] there was described a very interesting effect of the words' average length oscillation as a function of their frequency of use (according to the data from a representative frequency dictionary). ... In this context, further the Koehler's effect will be definied as polymodal character of the dependence of the conditioned average in cases of two-dimencional distributions of any linguistic nature. ...

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... Research programm of the laboratory-chair< . ... Laboratory-chair of Discrete mechanics on a microscopic scale . ... Thus the structures of the physical world are not physical objects but physical processes. ... The primitive entity is called a material point. ... The value of the property “existence” of the material point varies from “the material point does not exist” to “the material point exists” by this process. ... Let call this structure a dynamical graph or a d-graph. ...

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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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• http://www.elch.chem.msu.ru/mole/lecture/nazmutdinov.pdf
• http://www.elch.chem.msu.ru/mole/lecture/poster.pdf

... For those who is interested in thermodynamic modeling . Yuri Shvarov . This page is aimed mainly at the users of the software package HCh for thermodynamic (equilibrium) modeling of (geo)chemical systems and processes. However, some files presented here may also be of some interest to those who do not use HCh. ... HCh for DOS . ... User's guide for the Unitherm program intended for maintaining thermodynamic databases and calculation of thermodynamic properties of substances . ...

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