... 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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• Conformational analysis of boron-containing compounds using Gillespie-Kepert
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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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... Structure of Data . ... Catalog . ... In SAI OCL Catalog, we introduce our work on investigation of the Milky Way system of open star clusters. The main goal of our study is a search for new clusters using huge surveys. 168 new clusters have been already discovered by us using J,H,Ks data from 2MASS point source catalog. ... For 141 new clusters, we found their physical parameters using J,H,Ks data from 2MASS catalog and, for a number of clusters, our UBVRI CCD observational magnitudes. ...

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• SAI OCL Catalog Structure
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... Tel. 8(495)9368912, e-mail: roukkn@inbox.ru The thermodynamic model [1] developed for quantitative estimating cooperativity in supramolecular polymetallic assemblies has been applied to monometallic coordination complexes with neutral and anionic ligands and CN = 4, 6, as well as to octahedral complexes with bidentate ligands. ... Optimized parameter values for both models have been calculated by means of a least-squares fit in application to lgn. ...

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

... x264 is an open source codec of standard MPEG4 AVC/H.264, developed by programmers from all over the world. ... Accumulated during previous frames' compressions statistic is actively used by codec to improve effectiveness of adaptive models. ... These parameters are used only before encoding start, so, our improvements are more significant for short sequences. ... 3 Results of codec x264 modification on "flower" sequence . ... 5 Results of codec x264 modification on "flower" sequence, low bitrates ....

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• x264 codec improvement | Лаборатория компьютерной графики и мультимедиа

... No input file or projection information are needed. ... CYLINDRICAL PROJECTIONS : -Jc lon0 / lat0 / scale (Cassini) -Jj lon0 / scale (Miller) -Jm scale ( Mercator - Greenwich and Equator as origin) -Jm lon0 / lat0 / scale ( Mercator - Give meridian and standard parallel) -Joa lon0 / lat0 / azimuth / scale (Oblique Mercator - point and azimuth) -Job lon0 / lat0 / lon1 / lat1 / scale (Oblique Mercator - two points) -Joc Je lon0 / lat0 / scale (Equidistant). ...

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• Parameters of binary compact star evolution
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... Data . ... Services . ... Solar energetic particles . ... N -d SW Conditions : Time profiles of the key geomagnetic ( Ap and Dst indices), solar wind (velocity V , density n and temperature T ) and IMF ( B , Bx , By , Bz in GSM) parameters observed in the N day vicinity of the geomagnetic disturbed day. N -d Map of Solar Events : Map of solar surface events occurred within N day vicinity of the moment when the solar wind expansion (which causes the geomagnetic event) started. ... WIND . ...

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• Paraboloid model of the Earth's magnetosphere - Space monitoring data center

... Russian Pages . CDFE: Home Page . ... Numerical data, graphics, and bibliography . ... description] . Last updated: May 6th, 2014 . ... Last updated: June 15th, 2011 . ... Last updated: . ... Last updated: April 4th, 2015 . ... Last updated: February 25th, 2016 . ... Last updated: September 27th, 2011 . ... Photonuclear Data Index since 1955 . ... Last updated: September 15th, 2015 . ... Last updated: March 22th, 2010 . ... Last updated: March 19th, 2015 . ... Last updated: May 15th, 2002 . ...

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• CDFE => Online services => Chart of Nuclear Quadrupole Deformations
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. PHP Manual . Prev . Next . (PHP 4 ) pdf_get_parameter -- Gets certain parameters . string pdf_get_parameter ( int pdf object, string key [, float modifier]) . Get the contents of some PDFlib parameter with string type. Prev . Home . Next . pdf_get_image_width . Up . pdf_get_pdi_parameter

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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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• "A language for a tool set oriented to interactive processing of complex data
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... 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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You are here: Foswiki > System Web > JQueryPlugin > VarJQPLUGINS (30 Dec 2010, ProjectContributor ) E dit A ttach . ... format string to render a link to any tag documentation a plugin implements . ... format . ... author: author of the plugin . documentation: plugin documentation topic defaults to %SYSTEMWEB%.JQuery$name . ... Example: %JQPLUGINS{ "treeview|slimbox" header=" * JQuery Plugins:$n" format=" * [[$documentation][$name]] v$version was developed by [[$homepage][$author]]" }% Produces: . ...

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• VarURLPARAM < System < Foswiki

... Apache HTTP Server Version 2.0 . Apache > HTTP Server > Documentation > Version 2.0 > Developer Documentation . Apache 2.0 uses Doxygen to document the APIs and global variables in the code. This will explain the basics of how to document using Doxygen. ... return description . deffunc signature of the function . ... DoxyGen does not have a full parser in it, so any prototype that use a macro in the return type declaration is too complex for scandoc. ... foo/bar/gum" -&gt; "gum" . ...

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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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• Universal theoretical description of electronic transport in disordered organic
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Development of new approaches to the analysis of ring shapes in organic molecules and the description of electronic distribution (atomic charges) and halogen bonding in the framework of forcefield model for rapid estimation of intra- and intermolecular interaction energies in molecular mechanics, molecular dynamics and docking methods . Forcefield is a model and a set of parameters for theoretical description of intra- and intermolecular interactions. ... 2016 Laboratory of Medicinal Chemistry ...

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• Home - Laboratory of Medicinal Chemistry

... Supposed to be # set in src_configure(). ... Output the resulting flag list (suitable # for an assignment to SCONSOPTS ). _ scons _clean_makeopts() { local new_makeopts=() debug-print-function ${FUNCNAME} ${@} if [[ ${#} -eq 0 ]]; then debug-print Using MAKEOPTS: [${MAKEOPTS}] set -- ${MAKEOPTS} else # unquote if necessary set -- ${*} fi # empty MAKEOPTS give out empty SCONSOPTS # thus, we do need to worry about the initial setup if [[ ${*} = ${_ SCONS _CACHE_MAKEOPTS} ]]; then ...

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... VarURLPARAM . Returns the value of a URL parameter. ... encode="safe" . ... Encode special characters for URL parameter use, like a double quote into %22 . ... Escape double quotes with backslashes ( \" ), does not change other characters; required when feeding URL parameters into other TWiki variables . ... Example: %URLPARAM{"skin"}% returns print for a .../view/TWiki/VarURLPARAM?skin=print URL . ... If you have %URLPARAM{ in the value of a URL parameter, it will be modified to %<nop>URLPARAM{ . ...

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• VarURLPARAM - TWiki - TWiki - (printable)

... Results . ... Functional scheme of information flows under model studies of biosystems structure. ... Members of the group together with other Institutes of the RAS and departments of different Ministries (Education and Sciences, Natural resources and Agricultural) have created the pilot versions of the basic WEB-oriented information systems, which are actively used by many users in the global net of Internet. ...

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• Laboratories: Laboratory for Microevolution and Domestication of Mammals: Goals
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Series on Stability, Vibration and Control of Systems, Series A - Vol. ... MULTIPARAMETER STABILITY THEORY WITH MECHANICAL APPLICATIONS . ... This book deals with fundamental problems, concepts, and methods of multiparameter stability theory with applications in mechanics. ... Introduction to Stability Theory . ... Read Full Review . ... Since Bolotin's pioneering book on nonconservation problems on the theory of elastic stability, not many books appeared at such a high level, such as this one. ...

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... 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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