... 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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... 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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... 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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... 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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... 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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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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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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