About: The platinum-olefin binding energy in series of (PH3)2Pt(olefin)     Goto   Sponge   Distinct   Permalink

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Description
  • Teoretické studium organokových komplexů typu Pt(0)-olefin obsahující terciární fosfinové ligandy bylo zaměřeno na sílu elektronické interakce platina-olefin. Elektronické efekty v řadě derivátů ethylénu byly vyhodnocován pomocí vazebné energie Pt-olefin vypočtené s využitím DFT a MP2 korelační teorie. Byly vybrány organokovové sloučeniny obecného vzorce (R1R2C=CR3R4)Pt(PH3)2 [R = různé substituenty], přičemž zvolené olefiny měly skupiny přitahující i odpuzující elektrony. Stabilita koordinačních sloučenin rostla s rostoucím elektron-akceptorovým charakterem substituentů (cs)
  • 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
  • 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)
Title
  • The platinum-olefin binding energy in series of (PH3)2Pt(olefin)
  • Vazebná energie platina-olefin v serii komplexů (PH3)2Pt(olefin) – teoretická studie (cs)
  • The platinum-olefin binding energy in series of (PH3)2Pt(olefin) (en)
skos:prefLabel
  • The platinum-olefin binding energy in series of (PH3)2Pt(olefin)
  • Vazebná energie platina-olefin v serii komplexů (PH3)2Pt(olefin) – teoretická studie (cs)
  • The platinum-olefin binding energy in series of (PH3)2Pt(olefin) (en)
skos:notation
  • RIV/61388971:_____/07:00089190!RIV08-AV0-61388971
http://linked.open.../vavai/riv/strany
  • 1009;1016
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • V, Z(AV0Z50200510)
http://linked.open...iv/cisloPeriodika
  • 9
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 441544
http://linked.open...ai/riv/idVysledku
  • RIV/61388971:_____/07:00089190
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • binding energy; dft; molecular modeling (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • CZ - Česká republika
http://linked.open...ontrolniKodProRIV
  • [92CA5387F73F]
http://linked.open...i/riv/nazevZdroje
  • Journal of Molecular Modeling
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 13
http://linked.open...iv/tvurceVysledku
  • Kačer, P.
  • Kuzma, Marek
  • Červený, L.
  • Šplíchalová, J.
  • Karhánek, D.
http://linked.open...n/vavai/riv/zamer
issn
  • 1610-2940
number of pages
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