About: Computational and variable temperature infrared spectroscopic studies on carbon monoxide adsorption on the zeolite Ca-A

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. (en)
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 (en)
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 (en)
skos:notation	RIV/61388963:_____/09:00331220!RIV10-MSM-61388963
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/06/0324), P(LC512), Z(AV0Z40550506), Z(MSM0021620857), Z(MSM6383917201)
http://linked.open...iv/cisloPeriodika	7
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Nachtigall, Petr Pulido, Maria Angeles
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	307937
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/09:00331220
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	DFT; FTIR (en)
http://linked.open.../riv/klicoveSlovo	FTIR DFT
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[FE632704CA24]
http://linked.open...i/riv/nazevZdroje	ChemPhysChem
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Center for biomolecules and complex molecular systems Bridging the gap between experimental and theoretical characterization of metal-ion exchanged zeolites
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	10
http://linked.open...iv/tvurceVysledku	Areán, C. O. Delgado, M. R. Nachtigall, Petr Pulido, Maria Angeles
http://linked.open...ain/vavai/riv/wos	000266292000010
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství Nové molekulární systémy pro pokročilé aplikace prospěšné pro zdraví a šetrné k životnímu prostředí Optical National Research Network and Its New Applications
issn	1439-4235
number of pages	8 (xsd:int)

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