About: Toward more efficient CCSD(T) calculations of intermolecular interactions in model Hydrogen-bonded and stacked dimers     Goto   Sponge   NotDistinct   Permalink

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  • Interaction energies of the model H-bonded complexes, the formamide and formamidine dimers, as well as the stacked formaldehyde and ethylene dimers are calculated by the coupled cluster CCSD(T) method. These systems serve as a model for H-bonded and stacking interactions, typical in molecules participating in biological systems.
  • Interaction energies of the model H-bonded complexes, the formamide and formamidine dimers, as well as the stacked formaldehyde and ethylene dimers are calculated by the coupled cluster CCSD(T) method. These systems serve as a model for H-bonded and stacking interactions, typical in molecules participating in biological systems. (en)
  • Interakční energie modelových komplexů s vodíkovými vazbami (dimer formamidu a dimer formamidinu) a patrovými interakcemi (farmaldehyd dimer a etylen dimer) byly vypočteny pomocí metody CCSD(T). tyto systémy slouží jako modely pro patrové interakce a vodíkové vazby, které jsou typické v biomakromolekulách. (cs)
Title
  • Toward more efficient CCSD(T) calculations of intermolecular interactions in model Hydrogen-bonded and stacked dimers
  • Toward more efficient CCSD(T) calculations of intermolecular interactions in model Hydrogen-bonded and stacked dimers (en)
  • Efektivnější CCSD(T) výpočty interakčních energií modelových komplexů s vodíkovými vazbami a patrovými interakcemi (cs)
skos:prefLabel
  • Toward more efficient CCSD(T) calculations of intermolecular interactions in model Hydrogen-bonded and stacked dimers
  • Toward more efficient CCSD(T) calculations of intermolecular interactions in model Hydrogen-bonded and stacked dimers (en)
  • Efektivnější CCSD(T) výpočty interakčních energií modelových komplexů s vodíkovými vazbami a patrovými interakcemi (cs)
skos:notation
  • RIV/61388963:_____/08:00315801!RIV09-AV0-61388963
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika
  • 30
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
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http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 400247
http://linked.open...ai/riv/idVysledku
  • RIV/61388963:_____/08:00315801
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • CCSD(T); hydrogen bonding; stacking (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [AD36861BA6CF]
http://linked.open...i/riv/nazevZdroje
  • Journal of Physical Chemistry A
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 112
http://linked.open...iv/tvurceVysledku
  • Urban, M.
  • Černušák, I.
  • Neogrady, P.
  • Pitoňák, Michal
  • Dědíková, P.
http://linked.open...ain/vavai/riv/wos
  • 000257926900040
http://linked.open...n/vavai/riv/zamer
issn
  • 1089-5639
number of pages
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