... 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 mechanics calculations of beta-diketonate, aqua, and
• A Nonparametric Determination of the Internal Rotation Potential and Molecular

... 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
• Other parameters of the evolutionary scenario

... 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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... 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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Электронная библиотека Попечительского совета . ... Smith R.C., Demetriou M.A. - Research Directions in Distributed Parameter Systems . ... Название: Research Directions in Distributed Parameter Systems . Авторы: Smith R.C., Demetriou M.A. Аннотация: . ... Research Directions in Distributed Parameter Systems is intended for graduate students, academic and industrial research scientists, and program managers from funding agencies supporting research focused on distributed parameter systems. ...

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• Bishwal J.P. - Parameter Estimation in Stochastic Differential Equations ::
• Поиск книг, содержащих Order parameter :: Электронная библиотека
• Hisashi Tanizaki - Estimation of unknown parameters in nonlinear and

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
• Simplifying the expression for vertices

... Next: It(Z) tab (STM mode), Up: Scan parameters Previous: Scan parameters Contents Index . On this tab user can set scan parameters corresponding to surface scanning Z(X,Y). ... Scanning mode can be set using falling list that is in upper part of the tab window . ... Steps/lines -- number of points in a scan line and number of lines in surface image. ... On the Litography tab user can choose Mask image , litography mode and parameters for probe-sample interaction during lithography process. ...

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• Scan parameters
• Parameters of 3D Images
• Microscope Parameters Data

... Parameters . ... Natural Satellites Data Center. Parameters and constants . ... Satellites of Mars . Satellites of Jupiter . Satellites of Saturn . Satellites of Uranus . Satellites of Neptune . Satellite of Pluton . Masses of satellites . Dimensions of satellites . Photometric parameters of satellites . Rotational parameters and poles . Orbital parameters of the outer satellites of Jupiter, Saturn, Uranus and Neptune . ...

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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

... 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

... Param?tres . ... Centre de Donn es sur les Satellites Naturels. Param tres et constantes . ... Satellites de Mars . Satellites de Jupiter . Satellites de Saturne . Satellites de Uranus . Satellites de Neptune . Satellite de Pluton . Masses de satellites . Dimensions de satellites . Param tres photom triques de satellites . Param tres de rotation et p les . El ments orbitaux moyens des satellites lointains de Jupiter, Saturne, Uranus et Neptune . ...

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• IMCCE-SAI: Natural Satellites Data Center (NSDC). Parameters
• The determination of parameters of the gravity anomalies sources
• Data bases of Natural Satellites. Documentation. Structure

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/Symposium/ir_luna_e.pdf

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
• Local field and optical second harmonics generation in polar Langmuir-Blodgett

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
• SunSoft
• The Frequency-Frequency (FF) Plane

Tsunami source parameters versus earthquake magnitude and depth: Monte Carlo simulation Mikhail Nosov and Anna Bolshakova M.V.Lomonosov Moscow State University, Faculty of Physics, Moscow, Russian Federation (m.a.nosov@mail.ru) European Geosciences Union General Assembly 2011 Vienna | ... Among all possible parameters of a tsunami source we consider only those parameters which can be unambiguously calculated from the vertical component of co-seismic bottom deformations. ...

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... Calculating the Part of the Nonlinearity Parameter for Two Component System . ... The known relation for nonlinearity parameter B/A allows to calculate the pointed quantity if the value of the derivatives of sound velocity u on temperature T and pressure P are known. The dependence of u on T and P for two component mixture can be found from the relation for sound velocity in the mentioned mixture Umix which was derived by the author earlier. ...

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• Abstract (Invited)

XEMR . ... The program consists of the graphical front end which is written using XForms -library, and the libepr which contains all the spectrum manipulation and simulation routines. ... Load Store spectra in libepr format. ... Edit spectrum and measurement parameters. ... Fitting of experimental and simulated spectra using Monte Carlo or Simplex methods (variables are HFCs, line widths, line width asymmetry parameters, etc.) ... Other Scientific Fields | Chemistry, Biology Related . ...

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• SAL- Other Scientific Fields - Chemistry, Biology Related - steric
• SAL- Numerical Analysis - Optimization - EPO
• SAL- Other Scientific Fields - Artificial Intelligence - Drone

... Accepting Arguments . ... PHP's implementation of variable arguments in fsockopen(). pval ** args [5]; int *sock=emalloc(sizeof(int)); int *sockp; int arg_count = ARG_COUNT (ht); int socketd = -1; unsigned char udp = 0; struct timeval timeout = { 60, 0 }; unsigned short portno; unsigned long conv; char *key = NULL; FLS_FETCH(); if ( arg_count 5 || arg_count 2 || zend_get_ parameters _array_ex( arg_count , ... Old way of retrieving arguments (deprecated) . ... Accessing Arguments ...

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• Assuring Write Safety for Other Parameters
• pdf_get_pdi_parameter
• pdf_set_parameter

... Alexander Popov QFTHE P' 2010 , Golitsyno, September 14 2 Program package E vtGen The EvtGen package has been created for the simulation of the bhadrons decays at B-factories. ... Lowest order SM contributions to the decays. ... Alexander Popov QFTHE P' 2010 , Golitsyno, September 14 5 E vtGen model for rare radiative leptonic B-decays We prepare the new EvtGen model BSTOGLLMNT for rare radiative leptonic B-mesons decays. ... Alexander Popov QFTHE P' 2010 , Golitsyno, September 14 11 ...

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• http://qfthep.sinp.msu.ru/talks/qfthep2010_dubinin.pdf
• http://qfthep.sinp.msu.ru/talks2013/QFTP-2013_Bodnya__Derkach__Kovalenko__Puchkov__Feofilov1.pdf
• http://qfthep.sinp.msu.ru/talks/QFTHEP2010Dolgopolov.pdf

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...
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• "A numerical method of parameter reconstruction in the FitzHugh-Nagumo and