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Description
  • Pomocí CASPT2 a MRDDCI2 metod byly vypočteny spektroskopické parametry reakčních intermediátů multi-copper oxidáz. Dosažené výsledky přispěly k jejich identifikaci. (cs)
  • The spectroscopic parameters of important reaction intermediates of multicopper oxidases were calculated using CASPT2 and MRDDCI2 methods, which assisted in their identification.
  • The spectroscopic parameters of important reaction intermediates of multicopper oxidases were calculated using CASPT2 and MRDDCI2 methods, which assisted in their identification. (en)
Title
  • Multireference ab initio calculations on reaction intermediates of the multicopper oxidases
  • Multireference ab initio calculations on reaction intermediates of the multicopper oxidases (en)
  • Multireferenční ab initio výpočty reakčních intermediátů multi-copper oxidáz (cs)
skos:prefLabel
  • Multireference ab initio calculations on reaction intermediates of the multicopper oxidases
  • Multireference ab initio calculations on reaction intermediates of the multicopper oxidases (en)
  • Multireferenční ab initio výpočty reakčních intermediátů multi-copper oxidáz (cs)
skos:notation
  • RIV/61388963:_____/06:00048566!RIV07-AV0-61388963
http://linked.open.../vavai/riv/strany
  • 11051;11059
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GA203/05/0936), P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika
  • 26
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
  • 487321
http://linked.open...ai/riv/idVysledku
  • RIV/61388963:_____/06:00048566
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • CASPT2 calculations; electronic spectra; multi-copper oxidases; reaction intermediates (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [6538CE62E4D5]
http://linked.open...i/riv/nazevZdroje
  • Inorganic Chemistry
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
  • 45
http://linked.open...iv/tvurceVysledku
  • Rulíšek, Lubomír
  • Ryde, U.
  • Solomon, E. I.
  • Chalupský, Jakub
  • Neese, F.
http://linked.open...n/vavai/riv/zamer
issn
  • 0020-1669
number of pages
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