CompHEP was created as a program for calculation in an interactive mode. ... During the work with the n_comphep_f(c) program in the interactive mode you have a possibility to store all current settings and task parameters in the f(c)_batch.dat file. The function Batch of the main menu is used to define such a task and save it in a file. ... Its first function appends parameters of the current session to the f(c)_batch.dat file. ... The batch calculation in the case of n_comphep_c is started by . ...

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• QCD scale
• Menu 6.

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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... Hirose K., Ono T., Fujimoto Y. - First-Principles Calculations in Real-Space Formalism: Electronic Configurations and Transport Properties of Nanostructures . ... Название: First-Principles Calculations in Real-Space Formalism: Electronic Configurations and Transport Properties of Nanostructures . ... This timely volume addresses novel methods for calculating electronic transport properties using real-space formalisms free from geometrical restrictions. ...

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• Rodricks J.V. - Calculated Risks: The Toxicity and Human Health Risks of
• Alexandrowicz Z. - Entropy Calculated from the Frequency of States of
• Hotelling H. - The Distribution of Correlation Ratios Calculated from Random

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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Previous article . Next article . Contents . ... Moscow University Chemistry Bulletin . 2010, Vol. ... 4, P. 274 . Copyright (C) Chemistry Dept., Moscow State University, 2002 . ... Tables of Contents . ... Copyright (C) Chemisty Department of Moscow State University . ... Web-design: Copyright (C) MIG and VVM . ...

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• Thermodynamic calculation of yttrium-barium-copper-oxygen phase diagram
• On The Force Field Parameters For Metal Ion Coordination Sphere in Molecular
• Moscow University Chemistry Bulletin Vol. 51, No. 6, P. 445 (2010)

A numerical method for approximate calculation of the value function in the optimal control problem with a terminal functional" . Kamzolkin D.V. The optimal control problem with a terminal functional is considered. A numerical method for calculation of the value function is proposed. This method is based on Pontryagin's maximum principle. ... A method is proposed for constructing a program optimal control ensuring the near-optimal functional value . ...

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• "A study on efficiency of algorithms for calculating the flows bounded by
• "Calculation of optimal coefficients for quadrature formulas by the complete
• "Calculation of excited states of the polycation Bi 3+ 5 by the spin-orbit

... 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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... 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

E-mail: lmis@miem.ru Annotation The construction of the batch operation microwave device working in the travelling wave mode of operation for the effective thermal treatment of pipes with low dielectric losses is examined. Microwave device uses two-dimensionally periodic slow-wave structure with a period changing according to the certain law in the travelling wave direction. ... 0,02; ; = 2,4 3 ; R = 30 ; r = 28 ; = 12,24 ; = 250 ; L(0 ) = 20 ; L( ) = 35 ; z = 0,2 c = 0,8 . ... VIII : " , , ", , . ...

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Determination of the size of folding nuclei of protofibrils from the concentration dependence of the rate and lag-time of their formation Oxana V. Galzitskaya, Nikita V. Dovidchenko, Olga M. Selivanova, Maria Yu. ... For insulin and LysPro insulin we have Lrel 2-3, which means that it is definitely an exponential growth scenario. One can roughly define three types of possible mechanisms of exponential growth: growth from the surface, bifurcation, and fragmentation. ...

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• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/163.pdf
• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/189.pdf

... Directives | ... Apache HTTP Server Version 2.0 . ... This module controls the setting of the Expires HTTP header and the max-age directive of the Cache-Control HTTP header in server responses. The expiration date can set to be relative to either the time the source file was last modified, or to the time of the client access. ... access . ... If set to On , the headers will be added to served documents according to the criteria defined by the ExpiresByType and ExpiresDefault directives ( q.v. ). ...

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... Directives | ... Apache HTTP Server Version 2.0 . ... This module controls the setting of the Expires HTTP header and the max-age directive of the Cache-Control HTTP header in server responses. The expiration date can set to be relative to either the time the source file was last modified, or to the time of the client access. ... access . ... If set to On , the headers will be added to served documents according to the criteria defined by the ExpiresByType and ExpiresDefault directives ( q.v. ). ...

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PC GAMESS/Firefly TIME DEPENDENT HARTREE-FOCK MODULE $TDHF group required when RUNTYP=TDHF required when CITYP=TDHF For description of $TDHF group for RUNTYP=TDHF frequency-dependent (hyper)polarizabilities calculations please refer to the generic documentation. The only related point which should be mentioned here is that starting from the PC GAMESS v. 7.0 build # 3448, TDHF and DFT code were extended to allow calculation of static and dynamic (hyper)polarizabilities using runtyp=tdhf. ...

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• PC GAMESS/Firefly DOCUMENTATION - TDDFT
• PC GAMESS/Firefly DOCUMENTATION - P2P communication interface; dynamic load
• Firefly/PC GAMESS DOCUMENTATION - LARGE SCALE CI, MCSCF, and QDPT2

Выберите категорию обращения: Общие вопросы Отчеты Рейтинги Диссертационные советы Конкурсы Ввод данных Структура организаций Пользователи Проблемы с регистрацией\входом в систему . ... Войти в систему . ... Rybkin V.V., Tverdova N.V. , Girichev G.V. , Shlykov S.A. , Kuzmina N.P. , Zaitseva I.G. в журнале Journal of Molecular Structure , издательство Elsevier BV (Netherlands) , том 1006, ? ... Zaitseva J.G. , Kuz?mina N.P. , Martynenko L.I. в журнале Koordinatsionnaya Khimiya , том 25, ? ...

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• Giricheva N.I. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Mark T.D. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Matt-Leubner S. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического

... About lab . ... Online Journal "Computer graphics and multimedia" (in russian) . ... Algorithms for calculating parameters of virtual scenes in computer vision tasks . ...

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• Mouse Control via User's Head Movements | Graphics and Media Lab
• Mouse Control via User's Head Movements | Лаборатория компьютерной графики и
• GML C++ Camera Calibration Toolbox | Graphics and Media Lab

PETROTYP has been designed for clustering igneous rock compositions given as concentrations of major element oxides. This program is based on principles of hierarchical grouping of objects that are characterized by an array of parameters described as an objective function (Ward, 1963). The major principle involves a subsequent combining of samples having the minimum geochemical distance (GD) with respect to other rocks or average cluster compositions formed at a previous stage. ...

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• COMAGMAT MODEL
• Processing Experimental Data
• Trusov Sergey's homepage The influence of boundary layer effects on the melt

... SDPfox - the software package for the prediction of functional specificity groups and amino acid residues that determine the specificity using MPA. ... Amino acid residues that determine differences in protein functional specificity and account for correct recognition of interaction partners, are usually thought to correspond to those positions of a protein multiple alignment, where the distribution of amino acids is closely associated with grouping of proteins by specificity. ...

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• SDPsite - Algorithm Format requirements
• SDPpred
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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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• jg0010
• ji0003
• IDL programs

This diagram shows the six superimposed "layers" of the CSS table model. This diagram illustrates the algorithm for calculating a cell's final background. ... The diagram shows how, looking down on the six rectangles, one may compute the background color of each cell. ... A cell without a background color in the top layer is depicted as a "window" onto the lower layers, which give its final background color. ...

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• Long description of example illustrating table row height calculations and
• Long description of example illustrating background calculation
• Recursion

Predictor of DVM-program performance . Preliminary design . ... 3.1 Representation of the program as hierarchy of intervals . ... 3.2.2 Simulation of parallel execution of DVM-program . ... The predictor is intended for performance analysis and debugging of DVM-programs without usage of a real parallel computer (access to which is usually limited or complicated). ... time needed for execution of interprocessor communications; . ... execution time; . ... lost time. ... Processor time ( CPU_time ) . ...

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• Performance Analyzer. Preliminary design