... 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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• Molecular mechanics calculations of beta-diketonate, aqua, and
• Chromatogram generator: chromatogram modelling software

An algorithm of assigning the force parameters to atoms of organic molecules and proteins in the framework of the MMFF94 force field" . Grigoriev F.V., Romanov A.N., Kondakova O.A., Luschekina S.V., Sulimov V.B. The FARS (Fire Algorithm for Rings Search) algorithm of assigning the force parameters for atoms of organic molecules and proteins in the framework of the MMFF94 force field is considered. ...

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• "Numerical aspects of the calculation of scaling factors from experimental...
• "The parameter continuation method and its application to optimal control
• "Application of the integro-interpolation method to the construction of

... 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
• x264 codec improvement | Лаборатория компьютерной графики и мультимедиа

... Figure: Massive binary evolutionary track. ... A short glance to this track is sufficient to understand that there are a lot of evolutionary scenario parameters, which affect different stages of the binary evolution. Fortunately, a very limited number of parameters has effect on the compact binary merging rate. ... The most important (and practically unique) parameter changing the galactic binary NS merging rate is the distribution of an additional (kick) velocity imparted to NS at birth. ...

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• Initial Distributions of Binary Parameters
• The Model
• Initial parameters of compact stars

O.G. Koshelev . In the last years we have developed new methods of measurement of the photoelectric parameters of silicon wafers used for solar cell fabrication. ... One of the methods permits to determine the photoelectric parameters of wafer without conductive electrodes. ... The method can be easily automatized. The methods were tested on silicon solar cells irradiated by fast particles. ... A nondestructive method for measuring the photoelectric parameters of wafers with p-n-junctions. ...

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• A new method for determining parameters of the potential well of off-center

... 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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• Molecular mechanics study of the mixed-ligand lanthanide complexes using
• Conformational Analysis of Boron-Containing Compounds Using Gillespie-Kepert

... Nonlinearity Parameter Measurement and Characterization of Microstructural States in Solids . ... Novel harmonic generation measurement techniques have been developed to obtain in-situ nonlinearity parameters of metallic materials. ... Experimental arrangements are discussed and experimental results are directly compared with values predicted from theoretical calculations of the microstructural contributions in aluminum single crystals, aluminum alloys, and stainless steels. ...

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• Abstract

const int nvar_ is a number of independent physical parameters involved in the evaluation of squared matrix element. const int nfunc_ is a number of constrained parameters involved in the evaluation of squared matrix element. int calcFunc(void) calculates all constrained parameters for current values of independent ones. It returns 0 in the case of success, otherwise 1. int vinf_(int numvar, char *name, double *val) provides the information about parameters. ... It returns if , or otherwise. ...

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• Widths implementation parameters
• Batch calculations
• History and personal contributions

... High Brightness RTM . ... Techniques to generate short, small emittance electron bunches of several nC at energies of several MeV are being developed to drive free electron lasers, for accelerator research, to provide short laser Thomson scattering X-ray pulses, and to generate intense coherent millimeter radiation (e.g., synchrotron, transition, etc.) ... Generating several tens of MeV beams now requires large, expensive, energy inefficient accelerators available only at large laboratories. ...

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Электронная библиотека Попечительского совета . ... Sheffer A., Praun E., Rose K. - Mesh Parameterization Methods and Their Applications . ... Название: Mesh Parameterization Methods and Their Applications . ... Mesh Parameterization Methods and their Applications reviews the various parameterization methods, summarizing the main ideas of each technique and focusing on the practical aspects of the methods. ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Kleiber M. - Parameter Sensitivity in Nonlinear Mechanics :: Электронная
• Aster R.C., Borchers B., Thurber C.H. - Parameter Estimation and Inverse
• Niedermeier R. - Invitation to Fixed Parameter Algorithms :: Электронная

... Online Services | ... CDFE => Online Services => Chart of Nucleus Shape Parameters . Nucleus quadrupole deformation parameter ? ... At.Data Nucl.Data Tables 78, 1 (2001)] . ... N.J.Stone, At.Data Nucl.Data Tables, 90 75 (2005)] . ... Nucleus charge radii: . ... Nadjakov E. G., Marinova K. P. and Gangrsky Y. P., At.Data Nucl.Data Tables, 56, 133(1994)] (updated 2015) . ... I. Angeli, At.Data Nucl.Data Tables, 87, 185 (2004), updated 2008] . ... CDFE Head: Vladimir V. Varlamov . ...

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• CDFE => Online Services => Calculator and Graph Engine for Atomic Nuclei
• CDFE => Online Services => Nucleus Ground State Parameters
• CDFE => Online services => Chart of Nuclear Quadrupole Deformations

... Recommended values . Start word length . Start length of motiff for Multiple sequence alignment. ... Max N Mismatches . ... Min score . ... Gap parameter . This parameter defines gap scoring. the grater this value is the stronger gap will be panalysed . ... If inforation content of a column is less than given value the column should be not included into alignment. the grater this value is the stronger gap will be panalysed . ... Max loop . Max energy of a helix . ... cgcatagctc cacca . ...

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

THE PARAMETERS INVOLVED IN HAPKE'S MODEL FOR ESTIMATION OF THE COMPOSITION OF THE EJECTA LUNAR TERRAINS. ... In the previous papers we were estimated the surface roughness of the ejecta lunar terrains by means comparison of the local phase function and the average integrated lunar indicatrix. ... The Hapke's theoretical model of the lunar surface reflection. ... For THE PARAMETERS INVOLVED IN HAPKE'S MODEL: S.G. Pugacheva, V.V. Shevchenko a low-albedo lunar surface parameter Bo = 1. ...

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• http://selena.sai.msu.ru/Pug/Publications/m44_70_pugacheva.pdf
• http://selena.sai.msu.ru/Shev/Publications/ms38/ms085.pdf
• Svetlana G. Pugacheva

... PROJECT 01-0172 . Dynamic processes in amorphous glassy polymers and their effect on gas transport: theoretical, experimental and simulation studies . ... The main goal of this Project is to study a influence of chemical structure of the polymer unit on the gas transport parameters by the methods of the conformational analysis , method Monte Carlo and molecular-dynamic method. ... Theoretical and simulation methods will be used for study of gas transport of glassy polymers . ...

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• PSMTLab - Polymer Films

Diploma thesis abstract «Effect of doping on parameters of organic solar cells» student Trukhanov Vasiliy Andreevich. ... For optimized bulk heterojunction cell based on the most studied materials (blend of poly-3-hexylthiophene and fullerene derivative PCBM) it was discovered that efficiency decreases from 4.5% to 1% with increase of dopant concentration up to 1024 m-3 owing to decrease of the short-circuit current and fill factor; the open-circuit voltage changes slightly. ...

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• http://ofvp.phys.msu.ru/en/science_education/diploma/annot/2007/Arslanov_Gordienko_en.pdf
• 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/2006/Kostryukov_Tunkin_en.pdf

... This gropup of options allows You to change the following speech recording parameters: . ... This gropup of options allows You to change the following parameters of linear prediction: coefficients calculation: . ... This gropup of options allows You to change the following speech processing parameters: . ... This gropup of options allows You to change the following speech recognition parameters: . ... This gropup of options allows You to change the following speech detection parameters: . ...

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• Options
• Intelligent Systems :: Research :: :: Articles
• Intelligent Systems :: Magazine :: Web archive :: Volume 16, issue 1-4, 2012

... The first part involves calculating the pulse pressure on the front and airblast and the second evaluation of structural stability to the effects AIRBLAST with the parameters calculated in the first part. ... The presented program allows you to quickly calculate structural stability to the effects of the air shock wave and can be applied in the quantitative analysis of technical risk in the development and review of declarations of industrial safety of hazardous production facilities. ...

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• http://www.mce.biophys.msu.ru/archive/doc24959/eng.pdf
• http://www.mce.biophys.msu.ru/archive/doc15829/doc.pdf
• http://www.mce.biophys.msu.ru/archive/doc151854/eng.pdf

... Anis_1L - software for uniform anisotropic halfspace to calculate ARS diagrams for several arrays (AM (U), AMN (E), dipole equatorial (D), T-array (which is equivalent to dipole equatorial (D), but has only one current electrode), etc.), when source of current is on the earth surface or at a depth. ... AnisCont program calculates the azimuthal diagrams for anisotropic and inhomogeneous model - vertical contact of two anisotropic media with any parameters of an anisotropy for several arrays. ...

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... SPARCompiler(TM) Fortran 90 1.0 . FORTRAN 77 3.0.1 . ... important of these. -ansi: Report non-ANSI extensions. -c: Suppress linking, produce .o files -e: Recognize extended (132 character) source lines -fast: Specify common set of performance options - fixed : Interpret all Fortran source files according to fixed form rules -flags: Print summary of compiler options -fnonstd: Non-standard initialization of floating-point hardware -fnonstop: Execute without trapping on invalid, overflow ...

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• Tutorial on Fortran 90, Digital UNIX
• NAG's Fortran 90
• Notation