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Description
  • Nízkoenergetická oblast hyperplochy potenciální energie perindopril erbuminu byla popsána vysoce přesnými kvantově chemickými přístupy. Metodou B3LYP/6-31G** byla lokalizována čtyři minima a pro ně byly přístupem RI-MP2/aug-cc-pVDZ provedeny výpočty stabilizační energie. Výsledky těchto výpočtů byly využity pro získání termodynamických charakteristik zkoumaných struktur. (cs)
  • The low-energy region of the PES of perindopril ebumine was described using high-level quantum chemical approaches for the first time. Four minima were located using the B3LYP/6-31G** method and the supermolecule RI-MP2/aug-cc-pVDZ calculations of the stabilization energies were performed for them. The results of these calculations were subsequently employed to obtain the thermodynamic characteristics of the structures.
  • The low-energy region of the PES of perindopril ebumine was described using high-level quantum chemical approaches for the first time. Four minima were located using the B3LYP/6-31G** method and the supermolecule RI-MP2/aug-cc-pVDZ calculations of the stabilization energies were performed for them. The results of these calculations were subsequently employed to obtain the thermodynamic characteristics of the structures. (en)
Title
  • Theoretical conformational analysis of perindopril erbumine
  • Teoretická konformační analýza perindopril erbuminu (cs)
  • Theoretical conformational analysis of perindopril erbumine (en)
skos:prefLabel
  • Theoretical conformational analysis of perindopril erbumine
  • Teoretická konformační analýza perindopril erbuminu (cs)
  • Theoretical conformational analysis of perindopril erbumine (en)
skos:notation
  • RIV/61389013:_____/06:00039337!RIV07-AV0-61389013
http://linked.open.../vavai/riv/strany
  • 363;368
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(1ET400500402), Z(AV0Z40500505)
http://linked.open...iv/cisloPeriodika
  • 5
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
  • 503689
http://linked.open...ai/riv/idVysledku
  • RIV/61389013:_____/06:00039337
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • perindopril erbumine; perindoprilat; ab initio (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • GR - Řecká republika
http://linked.open...ontrolniKodProRIV
  • [4962DFFAAC56]
http://linked.open...i/riv/nazevZdroje
  • WSEAS Transactions on Biology and Biomedicine
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
  • 3
http://linked.open...iv/tvurceVysledku
  • Czernek, Jiří
http://linked.open...n/vavai/riv/zamer
issn
  • 1109-9518
number of pages
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