... Among the methods of theoretical investigation of coordination compounds, molecular mechanics seems to be an optimal choice. However, conventional MM force fields typically do lack metal-related force field parameters. ... Let us calculate (MM) energy gradient for experimental structures using purely organic force field with no metal-dependent terms. ... In other words, thus calculated forces give an "imprint" for the derivation of metal-dependent forces. ...

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• Comparative Analysis of Intramolecular Parameters of Nitrocompounds:
• Molecular Modeling in Chromatostructural Analysis as a New Approach in GC/MS of

Next: Star Formation Rate and Up: No Title Previous: Calculation of Evolutionary Tracks . To start calculations, we choose the distributions of the initial binary parameters: the mass of the primary ZAMS component, , binary mass ratio, , orbital separation a . ... whereas the mass ratio distribution is not. ... The zero assumption often made is that the mass ratio distribution has a flat shape, that is binaries with a high mass ratio occur as frequently as those with equal masses. ...

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• Dependence on the Scenario Parameters and Initial Distributions
• Effect of sources evolution on
• Parameters of binary compact star evolution

Электронная библиотека Попечительского совета . ... Lebowitz J.L. - On the equivalence of different order parameters for Ising ferromagnets . ... Название: On the equivalence of different order parameters for Ising ferromagnets . Автор: Lebowitz J.L. Аннотация: . ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Hudson B.G., Gerlach R.H. - A Bayesian approach to relaxing parameter
• van der Heijden F., Duin R., de Ridder D. - Classification, Parameter
• Sheffer A., Praun E., Rose K. - Mesh Parameterization Methods and Their

The Table Parameters consists of three fields: . ... CompHEP identifiers are sensitive to the case of characters. Also names of different identifiers must be different after rewriting them in the low case. For example, if the identifier "Me" is used in the table for the electron mass, then the forms "ME", "mE","me" are forbidden as for new definitions as for identification of the electron mass. There are some reserved names which cannot be used here: . ... Sqrt2 is reserved for ; . ...

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• Batch calculations
• Parameter section
• [Comphep-common] mass scan

... The RADEN data bank produced at the Department of Chemistry of Moscow State University is designed as well to accumulate published information on radiative parameters of diatomic molecules, as to analyse it and recommend the more reliable values. ... electronic transition moments D ( R ); . ... dipole moments, . ... FACTUAL RECOMMENDED DATABASE contains now the ab initio and experimental electronic transition moments for more than 250 band systems which belong to more than 100 diatomic molecules. ...

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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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• The Molecular Mechanic Approach to Coordination Compounds: Force Field Based on
• Molecular Mechanics Calculations of beta-Diketonate, Aqua, And

... 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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• x264 codec improvement | Graphics and Media Lab
• Videocodecs tuning | Graphics and Media Lab
• x264 codec improvement | Лаборатория компьютерной графики и мультимедиа

Numerical aspects of the calculation of scaling factors from experimental data" . ... Kochikov I.V. - Research Computing Center, Moscow State University, 119992, Moscow, Russian Federation; e-mail: kochikov@tm-net.ru ; . Kuramshina G.M., Stepanova A.V. - Depatment of Physical Chemistry, Chemical Faculty, Moscow State University, 119992, Moscow, Russian Federation; e-mail: kuramshi@phys.chem.msu.ru ; . ...

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• "Shock waves in real gases with different specific heat ratios ahead of and
• "The parameter continuation method and its application to optimal control
• Contents.Volume 7

... Next: Plane tab Up: Client Previous: Connection to a Server Contents Index . Figure 2.4: Scan parameters. STM mode of operation. ... AFM mode of operation. ... All scan parameters can be configures in Parameters window (pic. ... Client part of `` FemtoScan '' software allows to control microscope operating in three different scanning modes - tunneling mode(STM), atomic-force mode (AFM) and resonance atomic-force (RAFM). ... It(Z) tab (STM mode), F(Z) tab (AFM mode), D(Z) tab (RAFM mode). ...

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• Plane tab
• Parameters of 3D Images
• Microscope Parameters Data

... A new method is proposed that makes it possible to determine the parameters of the three-dimensional (3D) multiwell potential of off-center atoms from extended X-ray absorption fine-structure (EXAFS) data. ... The parameters of the multiwell potential for Ge atoms in the Sn 1-x Ge x Te solid solution as functions of temperature and composition (77<T<300 K, x>0.4) were obtained in the classical approximation. ...

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• New methods of measuring photoelectric parameters of silicon
• Local field and optical second harmonics generation in polar Langmuir-Blodgett
• First-principles calculations of physical properties of crystals

System parameters on Digital UNIX . ... Digital and Cray use the number of bytes as the KIND -parameter. ... LOGICAL Default byte word KIND number = 4 1 4 LOGICAL Default double quad KIND number = 4 8 16 INTEGER int15 int31 int63 KIND number = 2 4 8 digits = 15 31 63 radix = 2 2 2 range = 4 9 18 huge = 32767 2147483647 9223372036854775807 bit_size = 16 32 64 REAL single double quad KIND number = 4 8 16 digits = 24 53 113 maxexponent = 128 1024 16384 minexponent = -125 -1021 -16381 ...

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• Notation
• The pyramidal (multi-resolution) CCT
• The Frequency-Frequency (FF) Plane

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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• IMCCE-SAI: Natural Satellites Service. Parameters and constants
• IMCCE-SAI: Natural Satellites Data Center (NSDC). Parameters

... Stroboscopic Pulse Method of Nonlinear Parameters Measurements . ... The method is based on application of ultrasonic pulses and low frequency vibration to the sample. The high frequency ultrasonic pulse time of flight is measured in different phases of the low frequency vibration. ... The experiment was conducted in a sandstone bar with the ultrasonic pulse, frequency 6 MHz, propagating across the bar and the low-frequency vibration excited along the bar. ...

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• Abstract (Invited)

... solvation nucleation of the polymorphs Solute-solute interactions, association parameters , thermodynamics parameters , conformations growth of the crystal Nature of solvent, intermolecular interactions (solute ­ solvent, solute-solute), conformations Lattice energy , entropy of the crystal, symmetry of the lattice, conformations The conformational manifolds is the candidate to be a coordinate of reaction Methods of investigations Quantum chemistry ...

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

THE PHOTOMETRIC RESEARCHS OF THE MERCURY'S SURFACE BY MEANS OF DIGITAL MODELS. ... The surface brightness of Mercury was measured Danjon (1933, 1949, 1953) and Harris (1961) in phase angle 3o-123o. The analysis of the various data of the integral photometric gives the results of determination of the main photometric constants for Mercury. ... THE PHOTOMETRIC RESEARCHS OF THE MERCURY'S SURFACE: S.G. Pugacheva The surface brightness of the Mercurian images was established on the geologic map Mercury. ...

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• http://selena.sai.msu.ru/Pug/Publications/ms42/m42_60.pdf
• http://selena.sai.msu.ru/Shev/Publications/ms38/ms084.pdf

Diploma thesis abstract Frequency-angular spectra of terahertz and optical reflection of radiation from porous materials and metal nanogratings Student ­ Yagnyatinskiy Dmitry Alexandrovich In this work diffraction of electromagnetic radiation on diffraction gratings with various geometry parameters ­ thick gratings with small damping coefficient (material of grating ­ nanostructured oxide of aluminium) and metal nanogratings (made of silver) is presented. ...

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• http://ofvp.phys.msu.ru/en/science_education/diploma/annot/2015/Yakovlev_Zapunidy_en.pdf
• http://ofvp.phys.msu.ru/en/science_education/diploma/annot/2011/Dmitruk_Kandidov_en.pdf
• http://ofvp.phys.msu.ru/en/science_education/diploma/annot/2006/Kostryukov_Tunkin_en.pdf

Haiqing Xu, Yu Gao, Hongqi Zhang, Takashi Sakurai, Masaoki Hagino, D. Sokoloff, A.Pevtsov, Magnetic helicity of solar active regions as revealed by vector magnetograms and coronal X-ray images, Publ. Astron. ... Japan, 64, 54, 12 pages, 2012. We have used photospheric vector magnetograms of 15 different solar active regions to calculate the current helicity parameter, ?av, and the linear force-free field (LFFF) parameter, ?best, that fits best the observed transverse field. ...

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... Supercomputing Technologies in Science, Education and Industry Almanac Series . ... DRIVER: To develop a model of the interstellar hydrogen distribution in the heliosphere. To apply this model for the analysis of experimental data from different spacecraft. ... The results of the simulations of the formation and evolution of molecular clouds can be used as initial conditions for the current star formation in galaxies. ... Research Computing Center (RCC) of Lomonosov Moscow State University . ...

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• Distributed Modular Monitoring System: a New Approach to Supercomputer
• APPLICATIONS: Theoretical Physics | Moscow University Supercomputing Center

... MPI_Comm_compare . ... All MPI routines in Fortran (except for MPI_WTIME and MPI_WTICK ) have an additional argument ierr at the end of the argument list. ierr is an integer and has the same meaning as the return value of the routine in C. In Fortran, MPI routines are subroutines, and are invoked with the call statement. ... All MPI routines (except MPI_Wtime and MPI_Wtick ) return an error value; C routines as the value of the function and Fortran routines in the last argument. ... Центры . ...

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• Querying File Parameters | PARALLEL.RU - Информационно-аналитический центр по
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• mpirun | PARALLEL.RU - Информационно-аналитический центр по параллельным

... Basic channels . ... To add new channel, You have to select one of the spectral operations from the Operations list, modify or set the operations parameters and select one (for unary operations) or two (for binary operations) parent spectral channels. ... Subset of parameters in parent channel parameters vector . ... Using the left mouse button, mark the speech frames in the recorded speech (white columns in the lower spectral window, corresponding to the parent channel of this speech detector). ...

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