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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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Description
  • Relativní energie 95 konformerů čtyř peptidových modelů byly zkoumány pomocí MP2 a LMP2 metod. Rovněž byl studován vliv BSSE na basis-set konvergenci v závislosti na velikosti systému. (cs)
  • The relative energies of 95 conformers of four peptide models are studied using MP2 and LMP2 methods. The BSSE effect on the basis set convergence with the system size was also studied.
  • The relative energies of 95 conformers of four peptide models are studied using MP2 and LMP2 methods. The BSSE effect on the basis set convergence with the system size was also studied. (en)
Title
  • The accuracy of local MP2 methods for conformational energies
  • The accuracy of local MP2 methods for conformational energies (en)
  • Přesnost LMP2 metod pro konformační energie (cs)
skos:prefLabel
  • The accuracy of local MP2 methods for conformational energies
  • The accuracy of local MP2 methods for conformational energies (en)
  • Přesnost LMP2 metod pro konformační energie (cs)
skos:notation
  • RIV/61388963:_____/08:00313823!RIV09-AV0-61388963
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(IAA400550702), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika
  • 15
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
  • 354735
http://linked.open...ai/riv/idVysledku
  • RIV/61388963:_____/08:00313823
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • ab initio; electronic structure; quantum chemistry (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV
  • [6E18051BCE7D]
http://linked.open...i/riv/nazevZdroje
  • Molecular 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
  • 106
http://linked.open...iv/tvurceVysledku
  • Kaminský, Jakub
  • Jensen, F.
  • Mata, R. A.
  • Werner, H. J.
http://linked.open...ain/vavai/riv/wos
  • 000260831600007
http://linked.open...n/vavai/riv/zamer
issn
  • 0026-8976
number of pages
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