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  • The character of the hydrogen bonding and the excited state proton transfer (ESPT) in the model system HCN...H2O is investigated. The potential energy surfaces of the two lowest excited states are analyzed with respect to the potential ESPT and compared to the ground state.
  • The character of the hydrogen bonding and the excited state proton transfer (ESPT) in the model system HCN...H2O is investigated. The potential energy surfaces of the two lowest excited states are analyzed with respect to the potential ESPT and compared to the ground state. (en)
  • Na modelovém systému HCN...H2O jsme studovali charakter vodíkové vazby a přenos protonu v elektronicky excitovaném stavu. Analýza se týkala především dvou energeticky nejnižších stavů a jejich charakteru vzhledem k možnému přenosu protonu. (cs)
Title
  • Theoretical Study of Photoacidity of HCN: the Effect of Complexation with Water
  • Teoretická studie fotoacidity HCN: efekt komplexace s vodou (cs)
  • Theoretical Study of Photoacidity of HCN: the Effect of Complexation with Water (en)
skos:prefLabel
  • Theoretical Study of Photoacidity of HCN: the Effect of Complexation with Water
  • Teoretická studie fotoacidity HCN: efekt komplexace s vodou (cs)
  • Theoretical Study of Photoacidity of HCN: the Effect of Complexation with Water (en)
skos:notation
  • RIV/61388963:_____/06:00047994!RIV07-AV0-61388963
http://linked.open.../vavai/riv/strany
  • 4866;4873
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GD203/05/H001), P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika
  • 42
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
  • 503700
http://linked.open...ai/riv/idVysledku
  • RIV/61388963:_____/06:00047994
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • excited state proton transfer; photoacidity; nonadiababatic coupling (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV
  • [F79A93B5D43C]
http://linked.open...i/riv/nazevZdroje
  • Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 8
http://linked.open...iv/tvurceVysledku
  • Hobza, Pavel
  • Nachtigallová, Dana
  • Špirko, Vladimír
  • Muchová, Eva
http://linked.open...n/vavai/riv/zamer
issn
  • 1463-9076
number of pages
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