... 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

Next: Mass change Up: Evolutionary Scenarios of Binary Previous: Stellar Winds From Normal . As mentioned earlier, the duration of the binary evolutionary stage (say, I+I) is determined by the faster evolving component , where is the time each component spends at the corresponding evolutionary stage. ... Next, we should calculate the mass change for the slower evolving companion, the orbital semi-major axis and the eccentricity. Mass change . Semi-major axis change . ...

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• Initial parameters of compact stars
• Initial Distributions of Binary Parameters
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... 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

Электронная библиотека . ... Главная Ex Libris Книги Журналы Статьи Серии Каталог Wanted Загрузка ХудЛит Справка Поиск по индексам Поиск . ... Поиск по указателям . Результат поиска . Книга . Страницы для поиска . ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Bishwal J.P. - Parameter Estimation in Stochastic Differential Equations ::
• Tunable Kernel Parameters :: Электронная библиотека попечительского совета
• Englezos P., Kalogerakis N. - Applied Parameter Estimation for Chemical

... 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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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

... 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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... 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
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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
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Identifiability analysis and predictive power of the gene circuit model Ekaterina Myasnikova St.Petersburg State Polytechnical University, 29 Politekhnicheskaya, 195251, St.Petersburg, Russia, e-mail: myasnikova@spbcas.ru The correct prediction of system behavior is a necessary property of a mathematical model that is largely determined by the identifiability of model parameters. The number of parameters that are estimated by fitting to experimental data is typically large. ...

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О лаборатории . ... Лаборатория теоретической биофизики . ... Here the guide to use RESP technique based on calculations from Firefly or GAMESS-US is presented. ... Note, that RESP algorythm will fit potential in the set of points which are selected according to $PDC group in the input-file. ... Нет комментариев " Using RESP with GAMESS-US and Firefly (PC-GAMESS) " . ... Using Firefly/GAMESS-US efficiently . ... Scannin? in Using Firefly/GAMESS-US efficiently? 2012 ERG Research Group . ...

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... Online Services | ... Chart of Nuclear Quadrupole Deformations. ... Electronic Chart of Deformation gives to one possibility to obtain in comfortable form (analogous to that of well-known Charts of the Nuclides) numerical information for various nuclear deformation parameters (quadrupole moment Q and quadrupole deformation parameter b 2 ) for ground states of many nuclei and contains the data from three sources: . ... 2 + ) data; . ... Chart of Nuclear Quadrupole Deformations structure. ...

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• CDFE => Online Services => Relational ENSDF
• CDFE => Online services => Chart of nucleus shape and size parameters
• CDFE => Online Services => Calculator and Graph Engine for Atomic Nuclei

... 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

... DEPRON device (Dosimeter of Electrons, PROtons and Neutrons) is intended for the measurements ofљ the absorbed doses and linear energy transfer spectra from high-energy electrons, protons and nuclei of space radiation, and for detecting of thermal and slow neutrons flux. ... Charged particles dosimeter based on semiconductor detector . ... For each detected particle an amplitude of impulse proportional to the energy lost by the particle in the detector?s track sensitive volume is registered. ...

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• ELFIN-L | Университетский спутник "Ломоносов"

... MPI_Cart_rank . Determines process rank in communicator given Cartesian location #include "mpi.h" int MPI_Cart_rank ( comm, coords, rank ) MPI_Comm comm; int *coords; int *rank; . ... rank . ... 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. ... MPI_SUCCESS . ... MPI_ERR_RANK . ... Some argument is invalid and is not identified by a specific error class (e.g., MPI_ERR_RANK ). ... Центры . ...

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... Publications . ... Laboratory of Mathematical Methods of Image Processing . Chair of Mathematical Physics . ... Algorithms for calculating parameters of virtual scenes in computer vision tasks . Publication type . Conference paper . ... 21-th International Conference on Computer Graphics GraphiCon'2011 . ... Title = {Algorithms for calculating parameters of virtual scenes in computer vision tasks}, . ... BookTitle = {21-th International Conference on Computer Graphics GraphiCon'2011}, . ...

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... 3.0.8 - 3.0.18 only, PHP 4 >= 4.0.0) cpdf_text -- Output text with parameters . void cpdf_text ( int pdf document, string text, float x-coor, float y-coor [, int mode [, float orientation [, int alignmode]]]) . The cpdf_text() function outputs the string text at position with coordinates ( x-coor , y-coor ). The optional parameter mode determines the unit length. ... The optional parameter alignmode determines how the text is aligned. ...

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• Dealing with a Variable Number of Arguments/Optional Parameters
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• Accepting Arguments

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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• The determination of parameters of the gravity anomalies sources
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• IMCCE-SAI: Natural Satellites Service. Parameters and constants

... The operators will be explained as they are used. The general notion to keep in mind is that any combination of these operators results in a 2- D affine coordinate transformation in the TF plane, which may be represented using the homogeneous coordinates often used in computer graphicsfoley. ... S _t_c,f_c = g_t_c,f_c,(_t) | ... We denote a time shift to the position , with an operator that has a multiplicative law of composition : (Table 1). ... Note that these two operators do not commute. ...

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• The Frequency-Frequency (FF) Plane
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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
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