... 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 Structure and Physicochemical Properties of Acetone-Chloroform...
• Molecular mechanics of oxoboron compounds : the development of force field and
• Molecular Structure and Conformations of Bicyclopentyl, C5H9-C5H9, as Studied

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 . ... Agrachev A.A., Sachkov Yu.L. - Control theory from the geometric viewpoint . ... Gonzalez-Miranda J.M. - Synchronization and Control of Chaos: An Introduction for Scientists and Engineers . ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Kleiber M. - Parameter Sensitivity in Nonlinear Mechanics :: Электронная
• Smith R.C., Demetriou M.A. - Research Directions in Distributed Parameter
• Bishwal J.P. - Parameter Estimation in Stochastic Differential Equations ::

... Structure of Data . ... Catalog . ... Catalog: 206 clusters 32 clusters: known before 12 clusters: parameters from BVRI photometry @ SAO 1-m 0 clusters: parameters from UBVRI photometry @ Maidanak 1.5-m 26 clusters: parameters from 2MASS 168 clusters: new (2MASS) 142 clusters: parameters from 2MASS 26 clusters: embedded 0 clusters: parameters from BVRI photometry @ SAO 1-m 3 clusters: parameters from UBVI photometry @ ARIES 1.04-m 0 clusters: parameters from UBVRI photometry @ Maidanak 1.5-m . ...

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• SAI Open Star Clusters (SAI OCL) Catalog

The MRS group also presents several sets of proton structure functions. ... They are MRS ( ) and MRS ( ) [ MRS-1995 ]. In the case it is supposed that the sea quark and gluon densities are parameterized at small by the function where is the same for the gluon and for the sea quarks. ... The next-to-leading order evaluation and the factorization scheme are used for evaluation of the dependence of structure function. in the [ ] case, correspondingly. ... See complete explanation in [ MRS-1995 ]. ...

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• Structure of LanHEP input file
• General structure
• Fortran case

... Online Services | ... Construct your query and output by sequental openings of needed fields. One output field must be selected (not be blank) at least. ... Query parameters: . Select for output . ... Energy (keV) . ... Y D H M S MS US NS PS FS AS EV KEV MEV or Stable . ... Energy of the ?-ray (keV) . ... Energy parameters of nucleus (B , Alpha energy, N, P separation energy) . ... Neutron separation energy (keV) . Proton separation energy (keV) . ... Excited energy(keV) . ...

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• CDFE => Online Services => Nucleus Ground State Parameters
• CDFE => Online services => Chart of nucleus shape and size parameters
• CDFE => Online Services => Calculator and Graph Engine for Atomic Nuclei

... 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
• EXAFS studies of semiconductors and ferroelectrics

... 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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... MPI_Cart_map . Maps process to Cartesian topology information #include "mpi.h" int MPI_Cart_map ( comm_old, ndims, dims, periods, newrank ) MPI_Comm comm_old; int ndims; int *dims; int *periods; int *newrank; . ... 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 . ... Some argument is invalid and is not identified by a specific error class (e.g., MPI_ERR_RANK ). ... Центры . ...

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• MPI_Cart_shift | PARALLEL.RU - Информационно-аналитический центр по
• MPI_Cart_rank | PARALLEL.RU - Информационно-аналитический центр по параллельным
• MPI_Graph_map | PARALLEL.RU - Информационно-аналитический центр по параллельным

Low-frequency approximation and the choice of optimal elastic parameters for two-layer blast protection jackets" . Tikhonravov A.V., Trubetskov M.K., Winfree N.A., Kang J.H. Low-frequency approximation of elastic wave transmittance for two-layer structures is proposed. An accuracy of the approximation in a range up to several kilohertz is studied. Based on this approximation, the problem of the optimal elastic parameter choice for two-layer blast protection jackets is considered. ...

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• "Nonuniqueness of shockwave structures in real gases: the Mach and/or regular
• "An algorithm of assigning the force parameters to atoms of organic molecules
• "Influence of genetic algorithm parameters on the docking efficiency with the

... The Influence of Microstructure of Media on Nonlinear Acoustic Parameter of Solutions . ... The acoustic nonlinear parameter B/A is strongly structure sensitive as it was shown in [Lesnyanskii et al. ... The values of parameters (Ye/Yid and derivative Ye with respect to pressure) are calculated from offered method [Balankina E.S. Proceeding of XI Session of the Russian Acoustic Society, Moscow, 2001 (http://www.akin.ru/RAO/sess11)] using volumetric-elastic properties of solutions. ...

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• Abstract (Invited)
• Schedule : Nonlinearity of Media and Structures, Nonlinear Testing
• AUTHOR : Yost W

... This form lets you to produce a list of hydrophobic clusters in a PDB file specified by user. Enter a 4-letter PDB code, e.g.: 1apl : . Search clusters: . ... between chains . Contacts between chains . Set #1 . ... Enter your e-mail here (optional): . ... List of atoms Strict Wide . Chains filter (1-20:A) . Show clusters not smaller than atoms . User data file in PDB format . ...

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Next: Transparency of the Stochastic Up: Model of the Galaxy Previous: Frequency distribution of galactic . ... The parameters of the model resulted from a numerical fitting of various data, such as the observed distribution of the young star population and neutral hydrogen, the density of population II stars in the vicinity of the Sun, the galactic rotation curve and the dynamics and distribution of globular clusters ? and dwarf irregular satellites of the Galaxy. ...

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• The Gravimagnetic Parameter
• Other parameters of the evolutionary scenario
• Initial parameters of compact stars

log . ... Sat, 26 Mar 2011 02:18:36 +0300 . boris (kodomo) . ... Daniil Alexeyevsky . ... Typo in allpy.fileio.write_strings . ... Fri, 25 Mar 2011 23:12:21 +0300 . ... Automated merge with ssh://kodomo/allpy . Thu, 17 Mar 2011 17:48:37 +0300 . ... Wed, 16 Mar 2011 22:50:50 +0300 . ... Mon, 28 Feb 2011 22:40:16 +0300 . ... allpy.processors: make temporary files named . Tue, 01 Mar 2011 00:17:13 +0300 . boris . ... Updated allpy/data/codes.py from fresh components.cif . ...

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• allpy: 8a81996f8bda
• allpy: allpy/config.py history

... 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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• Dos32Profile API
• Heliophysics, Internal structure and seismology
• Tutorial on Fortran 90, Digital UNIX

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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• Svetlana G. Pugacheva

... Next: Index Up: Scanning Probe Microscopy Image Previous: COM-port initialization file format Contents Index . Figure D.1: Parameters of 3D Images . ... Intensity of material emission (Mat. ... material color for diffused light (Mat. ... material reflection color for directed light (Mat. ... material reflection color for reflected light (Mat. ... intensity of directed light (Light Diffuse) . ... Material Shininess) In our case we use the model, where , and this parameter is called Material Color. ...

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• Scan parameters
• DSP board program
• Microscope Parameters Data

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

... If there's no significant multiple alignment , including the sequence, that you interest, then the secondary structure is built, using only the energy model (just the potential energy of the system is minimized), but very often such method will give unreliable results. ... It should be mentioned that by default, at alignment case, the RNA secondary structure will be predicted for the first sequence of the alignment. ... It is done through optimizing, not the real, but model energy of the structure. ...

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... PHP 3 <= 3.0.18, PHP 4 >= 4.0.0) imap_fetchstructure -- Read the structure of a particular message . object imap_fetchstructure ( int imap_stream, int msg_number [, int flags]) . ... The returned object includes the envelope, internal date, size, flags and body structure along with a similar object for each mime attachement. ... TRUE if there is a subtype string . ... An array of objects identical in structure to the top-level object, each of which corresponds to a MIME body part. ...

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• xml_parse_into_struct
• Dealing with a Variable Number of Arguments/Optional Parameters
• Assuring Write Safety for Other Parameters

... High Brightness RTM . ... Fig.1a: 70-MeV pulsed race-track microtron . Many applications require compact, inexpensive and efficient source of electron beam in energy range 10-100 MeV. ... Beam is focused by accelerating structure, which acts as RF quadrupole singlet, quadrupole triplets (12) installed at the even orbits return path and by electromagnet quadrupole singlet (9) installed at common axis. ... Fig.1b: 70-MeV RTM Schematic . ... Energy gain: 4.8 MeV / orbit . Orbits: 14 . ...

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