Calculation of molecular complexation free energy by thermodynamic integration with harmonic restrictions on atomic coordinates" . Grigoriev F.V. A new method for calculating the Gibbs free energy of intermolecular complex formation using the thermodynamic integration method with harmonic restrictions on atomic coordinates is proposed. ... Keywords: free energy of complex formation, thermodynamic integration . ...

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... The subsolidus equilibria in the mixture yttrium-barium-copper-oxygen including the metastable states of superconductor phases have been computed. ... The phase equilibria and thermodynamic values for the subsystems of copper-yttrium, barium-yttrium, copper-barium-yttrium, yttrium-oxygen including all the intermediate phases, solid and liquid solutions have been evaluated ("optimized"). ... Phase diagram of the Ba-Cu . ... Phase diagram of the system YBa2Cu3O6+z + CuO at 1 atm of oxygen pressure . ...

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• On The Force Field Parameters For Metal Ion Coordination Sphere in Molecular
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О лаборатории . ... Лаборатория теоретической биофизики . ... 1 комментарий " Using Firefly/GAMESS-US efficiently " . Scanning PES ab initio and in MM ERG Research Group: Лаборатория теоретической биофизики написал (Май 19th, 2015 9:36 пп) . ... OPLS-AA patch for different types of molecules . ... Using Firefly/GAMESS-US efficiently . ... OPLS-AA? in All-atom automatic OPLS-AA topology? ... Scannin? in Using Firefly/GAMESS-US efficiently? 2015 ERG Research Group . ...

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Электронная библиотека Попечительского совета . ... Warshel A., Russell S.T. - Calculations of electrostatic interactions in biological systems and in solutions . ... Название: Calculations of electrostatic interactions in biological systems and in solutions . Авторы: Warshel A., Russell S.T. Язык: . ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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... Apache HTTP Server Version 2.0 . Apache > HTTP Server > Documentation > Version 2.0 . Configuring Apache to listen on specific addresses and ports. ... When Apache starts, it binds to some port and address on the local machine and waits for incoming requests. ... If you want Apache to handle IPv4 and IPv6 connections with a minimum of sockets, which requires using IPv4-mapped IPv6 addresses, specify the --enable-v4-mapped configure option and use generic Listen directives like the following: . ...

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• ADDRESS
• logresolve - Resolve IP-addresses to hostnames in Apache log files - Apache
• Управление спамом

... Apache HTTP Server Version 2.0 . Apache > HTTP Server > Documentation > Version 2.0 . ... Configuring Apache to listen on specific addresses and ports. ... When Apache starts, it binds to some port and address on the local machine and waits for incoming requests. ... If you want Apache to handle IPv4 and IPv6 connections with a minimum of sockets, which requires using IPv4-mapped IPv6 addresses, specify the --enable-v4-mapped configure option and use generic Listen directives like the following: . ...

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• Address Resolution
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LABORATORY OF NUCLEIC ACID-PROTEIN INTERACTIONS . ... Study of Natural Covalent Complexes of Nucleic Acids and Proteins . ... High sensitive tools and methods are developed in the laboratory for detection and identification of the viral and cellular nucleic acids and covalent complexes of RNA and proteins that contain the covalent linkage unit (CLU), which is identical to the CLU of the picornavirus VPg-RNA covalent complex. ... Antibodies against picornavirus RNA-VPg covalent linkage unit . ...

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• OUTPUT
• screening by keywords
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Выберите категорию обращения: Общие вопросы Отчеты Рейтинги Диссертационные советы Конкурсы Ввод данных Структура организаций Пользователи Проблемы с регистрацией\входом в систему . ... Войти в систему . ...

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• Szcz??niak Ma?gorzata M. - сотрудник | ИСТИНА - Интеллектуальная Система

... Molecular Mechanics Calculations of beta-Diketonate, Aqua, And Aqua-beta-Diketonate Complexes of Lanthanide Ions Using Gillespie-Kepert Model . ... Abstract - A version of molecular mechanics based on the Gillespie-Kepert model of coordination bonds "repulsion" is applied to lanthanide complexes. ... For the aqua complexes, typical root-mean-square deviation (calculated vs. ...

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• The Molecular Mechanic Approach to Coordination Compounds: Force Field Based on
• Molecular mechanics study of the mixed-ligand lanthanide complexes using

... 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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Internet Engineering Task Force (IETF) J. Arkko Request for Comments: 5737 Ericsson Updates: 1166 M. Cotton Category: Informational L. Vegoda ISSN: 2070-1721 ICANN January 2010 IPv4 Address Blocks Reserved for Documentation Abstract Three IPv4 unicast address blocks are reserved for use in examples in specifications and other documents. This document describes the use of these blocks. ... Introduction This document describes three IPv4 address blocks that are provided for use in documentation. ...

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• http://mirror.msu.net/pub/rfc-editor/internet-drafts/draft-matsuhira-m4p6e-00.txt
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This page briefly describes the texture filtering modes implemented in the current release of PolyWorld Engine. The following is a sample MIP-map texture generated from a regular 256x256 texture map. ... This map is usually referred to as a 4D Pyramid Anisotropic Filtering map. Only one, isotropic integer MIP level is calculated (MIP u = MIP v ). ... Unlike the Bilinear Filtering case shown above, rational isotropic MIP level is calculated . ... color = lrp (color1, color2, frc_MIP); . ...

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• Address

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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When Apache starts, it connects to some port and address on the local machine and waits for incoming requests. By default, it listens to all addresses on the machine, and to the port as specified by the Port directive in the server configuration. ... There are two directives used to restrict or specify which addresses and ports Apache listens to. ... Listen can be used to make a single Apache server listen to more than one address and/or port. ... Syntax: Listen [ port | IP-address:port ] . ...

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RAS-DOE project #RUC2-20006-MO-04, 2004-2007, PI: Perminova I.V. Investigation and Modeling of the Fundamental Interactions of Actinides with Customized Humic Substances at both the Molecular and Colloidal Levels . ... This proposal addresses the fundamental interactions between actinides and materials genetically classified as humic substances. ... The research will probe the interactions between these actinides and a comprehensive group of well-characterized, "designer" humic substances. ...

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• The program of the ARW

... Data . ... Models . ... Paraboloid model . ... Dynamic paraboloid model (A2000) allows to calculate the variations of magnetic field of each magnetospheric large scale current systems by empirical data during quite and disturbed periods. ... The IMF penetrated into the magnetosphere as well as field-aligned currents magnetic field are included in the total magnetospheric magnetic field. ... bb(2,i) - ring current magnetic field; . ... BD is the geomagnetic dipole magnetic field at the Earth's...

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• Space monitoring data center

. You have to provide the mail system with an address for it to deliver the mail to. The syntax of any mail address is either: username . or: username @ system-name . Examples . Did You Know? . Network domains and mail addresses . Mail addresses on the Internet . Finding a person's mail address . Using aliases . Creating a distribution list .

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... Description of the model of a minimal interaction of a gravity with scalar matter fields. ... Separation of equations for the physical degrees of freedom (a specially chosen gauge). ... Branon mass spectrum in the theory with a potential . Asymmetric background solutions and the defect of the cosmological constant. ... Generation of asymmetric brane Two scalar doublets Mass spectrum equation Solution even function odd function ( ( FL0) + FL1 ) provides an asymmetric brane localization for fermions ...

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When Apache starts, it connects to some port and address on the local machine and waits for incoming requests. By default, it listens to all addresses on the machine, and to the port as specified by the Port directive in the server configuration. ... There are two directives used to restrict or specify which addresses and ports Apache listens to. ... Listen can be used to make a single Apache server listen to more than one address and/or port. ... Syntax: Listen [ port | IP-address:port ] . ...

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When Apache starts, it connects to some port and address on the local machine and waits for incoming requests. By default, it listens to all addresses on the machine, and to the port as specified by the Port directive in the server configuration. ... There are two directives used to restrict or specify which addresses and ports Apache listens to. ... Listen can be used to make a single Apache server listen to more than one address and/or port. ... Syntax: Listen [ port | IP-address:port ] . ...

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