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Description
  • A novel method, designated as the density functional theory/coupled-cluster with single and double and perturbative triple excitation [DFT/CCSD(T)] correction scheme, was developed for precise calculations of weakly interacting sp(2) hydrocarbon molecules and applied to the benzene dimer.
  • A novel method, designated as the density functional theory/coupled-cluster with single and double and perturbative triple excitation [DFT/CCSD(T)] correction scheme, was developed for precise calculations of weakly interacting sp(2) hydrocarbon molecules and applied to the benzene dimer. (en)
  • Metoda pro přesný popis slabě vázaných sp2 uhlovodíkových systémů, která je založena na DFT/CCSD(T) korekčním schématu, byla použita pro přesné výpočty hyperplochy potenciální energie dimeru benzenu. (cs)
Title
  • Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme
  • Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme (en)
  • Povrch potenciální energie dimeru benzenu: DFT/CCSD(T) korekční metoda (cs)
skos:prefLabel
  • Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme
  • Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme (en)
  • Povrch potenciální energie dimeru benzenu: DFT/CCSD(T) korekční metoda (cs)
skos:notation
  • RIV/61388963:_____/08:00316049!RIV09-AV0-61388963
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(IAA400550613), P(LC512), Z(AV0Z40550506), Z(MSM0021620835)
http://linked.open...iv/cisloPeriodika
  • 11
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
  • 373225
http://linked.open...ai/riv/idVysledku
  • RIV/61388963:_____/08:00316049
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • density functional theory; pi-pi interactions; correlated calculations (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [A6026A2D4859]
http://linked.open...i/riv/nazevZdroje
  • Journal of 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
  • 128
http://linked.open...iv/tvurceVysledku
  • Bludský, Ota
  • Nachtigall, Petr
  • Rubeš, Miroslav
  • Soldán, P.
http://linked.open...ain/vavai/riv/wos
  • 000254292500005
http://linked.open...n/vavai/riv/zamer
issn
  • 0021-9606
number of pages
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