"V, Z(AV0Z50200510)" . "9" . "\u010Cerven\u00FD, L." . "RIV/61388971:_____/07:00089190" . "13" . "Teoretick\u00E9 studium organokov\u00FDch komplex\u016F typu Pt(0)-olefin obsahuj\u00EDc\u00ED terci\u00E1rn\u00ED fosfinov\u00E9 ligandy bylo zam\u011B\u0159eno na s\u00EDlu elektronick\u00E9 interakce platina-olefin. Elektronick\u00E9 efekty v \u0159ad\u011B deriv\u00E1t\u016F ethyl\u00E9nu byly vyhodnocov\u00E1n pomoc\u00ED vazebn\u00E9 energie Pt-olefin vypo\u010Dten\u00E9 s vyu\u017Eit\u00EDm DFT a MP2 korela\u010Dn\u00ED teorie. Byly vybr\u00E1ny organokovov\u00E9 slou\u010Deniny obecn\u00E9ho vzorce (R1R2C=CR3R4)Pt(PH3)2 [R = r\u016Fzn\u00E9 substituenty], p\u0159i\u010Dem\u017E zvolen\u00E9 olefiny m\u011Bly skupiny p\u0159itahuj\u00EDc\u00ED i odpuzuj\u00EDc\u00ED elektrony. Stabilita koordina\u010Dn\u00EDch slou\u010Denin rostla s rostouc\u00EDm elektron-akceptorov\u00FDm charakterem substituent\u016F"@cs . . "binding energy; dft; molecular modeling"@en . "Journal of Molecular Modeling" . "1"^^ . . "The platinum-olefin binding energy in series of (PH3)2Pt(olefin)" . "The platinum-olefin binding energy in series of (PH3)2Pt(olefin)" . "Ka\u010Der, P." . "1009;1016" . . "1610-2940" . "The platinum-olefin binding energy in series of (PH3)2Pt(olefin)"@en . "Kuzma, Marek" . "The platinum-olefin binding energy in series of (PH3)2Pt(olefin)"@en . . "Theoretical investigation of Pt(0)-olefin organometallic complexes containing tertiary phosphine ligands was focused on the strength of platinum-olefin electronic interaction. DFT theoretical study of electronic effects in a substantial number of ethylene derivatives was evaluated in terms of the Pt-olefin binding energy using MP2 correlation theory. Organometallics bearing coordinated olefins with general formula (R1R2C=CR3R4)Pt(PH3)2 [R=various substituents] had been selected, including olefins containing both electron-donor substituents as well as electronwithdrawing groups. The stability of the corresponding complexes increases with a strengthening electron-withdrawal ability of the olefin substituents"@en . . "441544" . . . "8"^^ . "[92CA5387F73F]" . . . "Theoretical investigation of Pt(0)-olefin organometallic complexes containing tertiary phosphine ligands was focused on the strength of platinum-olefin electronic interaction. DFT theoretical study of electronic effects in a substantial number of ethylene derivatives was evaluated in terms of the Pt-olefin binding energy using MP2 correlation theory. Organometallics bearing coordinated olefins with general formula (R1R2C=CR3R4)Pt(PH3)2 [R=various substituents] had been selected, including olefins containing both electron-donor substituents as well as electronwithdrawing groups. The stability of the corresponding complexes increases with a strengthening electron-withdrawal ability of the olefin substituents" . "Karh\u00E1nek, D." . . "CZ - \u010Cesk\u00E1 republika" . . "Vazebn\u00E1 energie platina-olefin v serii komplex\u016F (PH3)2Pt(olefin) \u2013 teoretick\u00E1 studie"@cs . . "Vazebn\u00E1 energie platina-olefin v serii komplex\u016F (PH3)2Pt(olefin) \u2013 teoretick\u00E1 studie"@cs . . . . "5"^^ . "RIV/61388971:_____/07:00089190!RIV08-AV0-61388971" . . "\u0160pl\u00EDchalov\u00E1, J." .