... 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
• Comparative Analysis of Intramolecular Parameters of Nitrocompounds:

... 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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... Calculations of at least two runs with different values of a parameter are required in order to discover to what extent the results depend on the , if at all. ... In order to study how the final statistical distributions depend on the initial functions, the method of Green functions is used. ... Then we can restore any distribution on this parameter (with a certain accuracy) by summing the results for each interval with the appropriate weight. ...

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• Initial Distributions of Binary Parameters
• Parameters of binary compact star evolution
• Initial binary parameters

... 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
• The Molecular Mechanic Approach to Coordination Compounds: Force Field Based on

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
• Independent parameters of the model

... 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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... 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

... 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
• Plane tab
• Microscope Parameters Data

Электронная библиотека Попечительского совета . ... Bishwal J.P. - Parameter Estimation in Stochastic Differential Equations . ... Название: Parameter Estimation in Stochastic Differential Equations . ... Parameter estimation in stochastic differential equations and stochastic partial differential equations is the science, art and technology of modelling complex phenomena and making beautiful decisions. ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Moeller T.B. - Magnetic Resonance Imaging, Parameters and Positioning ::
• Sheffer A., Praun E., Rose K. - Mesh Parameterization Methods and Their
• Поиск книг, содержащих Antiferromagnet order parameter :: Электронная

... 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

... 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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• CpAppro Laboratory of Chemical Thermodynamics

... 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: . ...