. . "0"^^ . . "2007-01-01+01:00"^^ . . "1"^^ . "This project is aimed on developement of numerical methods to treat multidimensional vibrational and dissociative dynamics in inelasic electron interactions with molecules within framework of nonlocal resonance model. The methods will include tools to construct nonlocal resonance model from ab initio calculation. The results will be applied for calculation of vibrational excitation and dissociative attachment in electron scattering from molecules and also for collisions of anions and molecules. Calculation of data for specific systems important in astronomy, atmospheric physics, biology\u00A0will be considered. Special\u00A0attention will be paid to\u00A0utilisation of the methods in molecular\u00A0electronics (with emphasis on inelastic\u00A0transmission electron\u00A0through single molecule junction)."@en . "electron collisions; resonance reaction dynamics; molecular electronics"@en . "0"^^ . "http://www.isvav.cz/projectDetail.do?rowId=GA202/07/0833"^^ . . . . . . . "2015-01-22+01:00"^^ . "."@en . . . "2009-12-31+01:00"^^ . . . . . "C\u00EDlem tohoto projektu je v\u00FDvoj numerick\u00FDch metod pro popis mnohodimension\u00E1ln\u00ED vibra\u010Dn\u00ED a disocia\u010Dn\u00ED dynamiky p\u0159i neelastick\u00FDch interakc\u00EDch elektronu s molekulami v r\u00E1mci nelok\u00E1ln\u00EDho resonan\u010Dn\u00EDho modelu. Metody\u00A0budou tak\u00E9 obsahovat n\u00E1stroje pro konstrukcinelok\u00E1ln\u00EDho resonan\u010Dn\u00EDho modelu z prvn\u00EDch princip\u016F. V\u00FDsledky budou aplikov\u00E1ny na v\u00FDpo\u010Det vibra\u010Dn\u00ED excitace a a disociativn\u00ED z\u00E1chyt elektronu rozptyluj\u00EDc\u00EDho se na molekule a tak\u00E9 na sr\u00E1\u017Eky z\u00E1porn\u00FDch iont\u016F a molekul. Nakonec zv\u00E1\u017E\u00EDme, v r\u00E1mci mo\u017Enost\u00ED, v\u00FDpo\u010Det dat pro konkr\u00E9tn\u00ED syst\u00E9my d\u016Fle\u017Eit\u00E9 v astronomii, atmosf\u00E9rick\u00E9 fyzice, biologii. Speci\u00E1ln\u00ED pozornost bude v\u011Bnov\u00E1na pou\u017Eit\u00ED metod v molekul\u00E1rn\u00ED\u00A0elektronice--- neelastick\u00FD pr\u016Fchod elektronu molekul\u00E1rn\u00EDm m\u016Fstkem." . . "V\u00FDvoj metod pro nelok\u00E1ln\u00ED rezonan\u010Dn\u00ED dynamiku v\u00EDceatomov\u00FDch molekul" . "\u0158e\u0161en\u00ED projektu p\u0159isp\u011Blo k prohlouben\u00ED znalost\u00ED o interakci elektron\u016F a molekul se zapo\u010Dten\u00EDm jejich vibra\u010Dn\u00EDch stup\u0148\u016F volnosti. Krom\u011B konkr\u00E9tn\u00EDch v\u00FDsledk\u016F z\u00EDskan\u00FDch pro jednotliv\u00E9 studovan\u00E9 syst\u00E9my byly vyvinuty po\u010D\u00EDta\u010Dov\u00E9 programy pro numerick\u00E9 simulace"@cs . "11"^^ . "11"^^ . "electron collisions" . "GA202/07/0833" . . "2009-04-22+02:00"^^ . "Towards nonlocal resonance dynamics of polyatomic systems"@en . . . " resonance reaction dynamics" .