"The presented project follows up with the previous studies of the applicant, supported in the years 1996-2008 by several grants of the Grant Agency of the Czech Academy of Sciences, dealing with the systematic exploitation of the pair density as a new source of the information about the molecular structure. As the results of these previous projects confirmed the wide applicability of these densities and-or other related quantities ( generalized bond indices and the domain averaged Fermi holes) as a new efficient and universal tool for the study of the role of electron pairing in chemical bonding, the presented project assumes further systematic exploitation of the above original methodologies for the visualization of the structure of the molecules with the complex bonding pattern. like multinuclear inorganic complexes with direct metal-metal bonds, electron deficient compounds, small metal clusters etc, whose description often transcends the framework of classical Lewis model of localized two-center two-electron (2c-2e) chemical bond. Besides the \u201Epractical\u201C exploitation for the elucidation of the structure of individual molecules and systems, the emphasis will also be put on further systematic use of the correlated pair densities as a tool providing new insights into the frequently discussed role of electron pairing in the phenomenon of chemical bonding."@en . "2014-01-30+01:00"^^ . . "0"^^ . . " domain" . "http://www.isvav.cz/projectDetail.do?rowId=GA203/09/0118"^^ . "P\u0159edkl\u00E1dan\u00FD grantov\u00FD projekt navazuje na p\u0159edchoz\u00ED navrhovatelovy pr\u00E1ce podporovan\u00E9 v letech 1996 - 2008 n\u011Bkolika granty GA AV, v nich\u017E bylo zkoum\u00E1no vyu\u017Eit\u00ED p\u00E1rov\u00E9 hustoty jako nov\u00E9ho zdroje informac\u00ED o struktu\u0159e molekul. Vzhledem k tomu, \u017Ee dosavadn\u00ED v\u00FDsledky potvrzuj\u00ED \u0161irokou vy\u017Eitelnost uveden\u00FDch hustot a z nich odvozen\u00FDch veli\u010Din (zobecn\u011Bn\u00E9 vazebn\u00E9 indexy, dom\u00E9nov\u011B pr\u016Fm\u011Brovan\u00E9 Fermiho d\u00EDry) jako nov\u00E9ho n\u00E1stroje pro anal\u00FDzu role elektronov\u00FDch p\u00E1r\u016F v chemick\u00FDch vazb\u00E1ch, navrhovan\u00FD projekt p\u0159edpokl\u00E1d\u00E1 dal\u0161\u00ED systematick\u00FD rozvoj uveden\u00FDch origin\u00E1ln\u00EDch metodik pro anal\u00FDzu vazebn\u00FDch interakc\u00ED p\u0159edev\u0161\u00EDm v molekul\u00E1ch se slo\u017Eit\u00FDm vazebn\u00FDm uspo\u0159\u00E1d\u00E1n\u00EDm. P\u0159\u00EDkladem jsou nap\u0159. v\u00EDcejadern\u00E9 anorganick\u00E9 komplexy, elektronov\u011B deficitn\u00ED molekuly, kovov\u00E9 clustery atd., jejich\u017E popis p\u0159esahuje r\u00E1mec klasick\u00E9ho Lewisova modelu chemick\u00E9 vazby. Vedle\u00A0uveden\u00FDch praktick\u00FDch aplikac\u00ED\u00A0jejich\u017E c\u00EDlem je\u00A0objas\u0148ov\u00E1n\u00ED struktury konkr\u00E9tn\u00EDch molekul a syst\u00E9m\u016F , bude v r\u00E1mci grantov\u00E9ho projektu pokra\u010Dovat tak\u00E9 dal\u0161\u00ED metodick\u00FD rozvoj obou navr\u017Een\u00FDch metodik sm\u011Brovan\u00FD p\u0159edev\u0161\u00EDm pro vyu\u017Eit\u00ED korelovan\u00FDch p\u00E1rov\u00FDch hustot jako n\u00E1stroje pro objasn\u011Bn\u00ED role elektronov\u00FDch p\u00E1r\u016F v chemick\u00E9 vazb\u011B." . "1"^^ . "Modern\u00ED teoretick\u00E9 metody pro anal\u00FDzu chemick\u00FDch vazeb" . " averaged" . "This project was aimed at the analysis of the bonding interactions in molecules with nontrivial bonding patterns. The results of this research are of high importance at understanding of electron reorganization accompanying chemical bond formation. In the frame of the project 12 papers and 1 book chapter were published, which is a very good performance. Grant report reasonably elaborated."@en . "chemical; bond; electron; pairing; domain; averaged; Fermi; holes"@en . "0"^^ . " bond" . . . . " pairing" . "Modern theoretical tools for the analysis of chemical bonding"@en . "Tento projekt byl zam\u011B\u0159en na anal\u00FDzu vaznosti v molekul\u00E1ch s netrivi\u00E1ln\u00EDm vazebn\u00EDm uspo\u0159\u00E1d\u00E1n\u00ED. Tyto v\u00FDsledky jsou vysoce d\u016Fle\u017Eit\u00E9 p\u0159i pochopen\u00ED reorganizaci elektronov\u00E9 struktury b\u011Bhem tvorby chemick\u00FDch vazeb. V r\u00E1mci projektu bylo publikov\u00E1no 12 \u010Dl\u00E1nk\u016F a 1 kapitola v knize, co\u017E je velmi dobr\u00FD v\u00FDkon. Grantov\u00E1 zpr\u00E1va vypracovan\u00E1 uspokojiv\u011B, i kdy\u017E ne dokonale."@cs . "2012-12-31+01:00"^^ . . . "GA203/09/0118" . . " Fermi" . . . . . . . "2009-01-01+01:00"^^ . "15"^^ . "chemical" . "15"^^ . . "2012-03-30+02:00"^^ . " electron" . . . .