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Description
  • Koordinace mimomřížkových iontů mědi v zeolitu FER a tvorba mono- a di-karbonylů byla studována pomocí peridické DFT. Vypočtené vibrační frekvence CO jsou ve výborné shodě s experimentálními daty. Na základě této shody je navržena interpretace experimentálních spektrálních charakteristik na atomární úrovni. (cs)
  • The coordination of extraframework Li+ cations in FER and the formation of mono- and di-carbonyl complexes in the Li+-FER zeolite were investigated using a periodic DFT model. Calculated CO stretching frequencies are in excellent agreement with experimental results, thus, the interpretation of experimental data at the atomic scale level is proposed.
  • The coordination of extraframework Li+ cations in FER and the formation of mono- and di-carbonyl complexes in the Li+-FER zeolite were investigated using a periodic DFT model. Calculated CO stretching frequencies are in excellent agreement with experimental results, thus, the interpretation of experimental data at the atomic scale level is proposed. (en)
Title
  • Theoretical investigation of site-specific characteristics of CO adsorption complexes in the Li+-FER zeolite
  • Theoretical investigation of site-specific characteristics of CO adsorption complexes in the Li+-FER zeolite (en)
  • Teoretická studie site-specifických charakteristik adsorpčních komplexů CO na Li+FER zeolitu (cs)
skos:prefLabel
  • Theoretical investigation of site-specific characteristics of CO adsorption complexes in the Li+-FER zeolite
  • Theoretical investigation of site-specific characteristics of CO adsorption complexes in the Li+-FER zeolite (en)
  • Teoretická studie site-specifických charakteristik adsorpčních komplexů CO na Li+FER zeolitu (cs)
skos:notation
  • RIV/61388963:_____/06:00043522!RIV07-AV0-61388963
http://linked.open.../vavai/riv/strany
  • 118;127
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(LC512), Z(AV0Z40550506), Z(MSM0021627501)
http://linked.open...iv/cisloPeriodika
  • 1
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
  • 503694
http://linked.open...ai/riv/idVysledku
  • RIV/61388963:_____/06:00043522
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • adsorption; spectroscopy; DFT (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • NL - Nizozemsko
http://linked.open...ontrolniKodProRIV
  • [4C26B5DF3355]
http://linked.open...i/riv/nazevZdroje
  • Applied Catalysis A - General
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
  • 307
http://linked.open...iv/tvurceVysledku
  • Bulánek, R.
  • Nachtigall, Petr
http://linked.open...n/vavai/riv/zamer
issn
  • 0926-860X
number of pages
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