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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F09%3A00331220%21RIV10-MSM-61388963
rdf:type
skos:Concept n18:Vysledek
dcterms:description
Carbon monoxide adsorption on the LTA-type zeolite Ca-A was studied by a combination of variable-temperature infrared spectroscopy and computational methods involving periodic density functional calculations and correlation between stretching frequency and bond length of adsorbed CO (omegaCO/rCO correlation). Based on agreement among calculated and experimental results, the main adsorption species identified were bridged Ca2+...CO...Ca2+ complexes formed on dual cation sites constituted by a pair of nearby Ca2+ cations. Carbon monoxide adsorption on the LTA-type zeolite Ca-A was studied by a combination of variable-temperature infrared spectroscopy and computational methods involving periodic density functional calculations and correlation between stretching frequency and bond length of adsorbed CO (omegaCO/rCO correlation). Based on agreement among calculated and experimental results, the main adsorption species identified were bridged Ca2+...CO...Ca2+ complexes formed on dual cation sites constituted by a pair of nearby Ca2+ cations.
dcterms:title
Computational and variable temperature infrared spectroscopic studies on carbon monoxide adsorption on the zeolite Ca-A Computational and variable temperature infrared spectroscopic studies on carbon monoxide adsorption on the zeolite Ca-A
skos:prefLabel
Computational and variable temperature infrared spectroscopic studies on carbon monoxide adsorption on the zeolite Ca-A Computational and variable temperature infrared spectroscopic studies on carbon monoxide adsorption on the zeolite Ca-A
skos:notation
RIV/61388963:_____/09:00331220!RIV10-MSM-61388963
n4:aktivita
n13:P n13:Z
n4:aktivity
P(GA203/06/0324), P(LC512), Z(AV0Z40550506), Z(MSM0021620857), Z(MSM6383917201)
n4:cisloPeriodika
7
n4:dodaniDat
n10:2010
n4:domaciTvurceVysledku
n12:1747681 Pulido, Maria Angeles
n4:druhVysledku
n11:J
n4:duvernostUdaju
n17:S
n4:entitaPredkladatele
n6:predkladatel
n4:idSjednocenehoVysledku
307937
n4:idVysledku
RIV/61388963:_____/09:00331220
n4:jazykVysledku
n9:eng
n4:klicovaSlova
DFT; FTIR
n4:klicoveSlovo
n5:FTIR n5:DFT
n4:kodStatuVydavatele
DE - Spolková republika Německo
n4:kontrolniKodProRIV
[FE632704CA24]
n4:nazevZdroje
ChemPhysChem
n4:obor
n16:CF
n4:pocetDomacichTvurcuVysledku
2
n4:pocetTvurcuVysledku
4
n4:projekt
n7:LC512 n7:GA203%2F06%2F0324
n4:rokUplatneniVysledku
n10:2009
n4:svazekPeriodika
10
n4:tvurceVysledku
Nachtigall, Petr Areán, C. O. Delgado, M. R. Pulido, Maria Angeles
n4:wos
000266292000010
n4:zamer
n14:MSM0021620857 n14:MSM6383917201 n14:AV0Z40550506
s:issn
1439-4235
s:numberOfPages
8