About: Vibrational dynamics of small molecules adsorbed on cation sites in zeolite channel systems: IR and DFT investigation

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	K pochopení stability a IR spekter adsorpčních komplexů v M+-zeolitech je nezbytné uvažovat (i) interakci molekuly s kationtem a (ii) interakci opačného konce molekuly se stěnami kanálu zeolitu. Tyto efekty, klasifikované jako efekt ze spodu a efekt ze shora, jsou kriticky analyzovány a diskutovány. (cs) The stability and IR spectra of adsorption complexes formed in M+-zeolites can be understood in detail only when both, (i) the interaction of the adsorbed molecule with the metal cation and (ii) the interaction of the opposite end of the molecule with the zeolite are considered. These effects, which can be classified as the effect from the bottom and the effect from the top, respectively, are critically analyzed and discussed. The stability and IR spectra of adsorption complexes formed in M+-zeolites can be understood in detail only when both, (i) the interaction of the adsorbed molecule with the metal cation and (ii) the interaction of the opposite end of the molecule with the zeolite are considered. These effects, which can be classified as the effect from the bottom and the effect from the top, respectively, are critically analyzed and discussed. (en)
Title	Vibrational dynamics of small molecules adsorbed on cation sites in zeolite channel systems: IR and DFT investigation Vibrational dynamics of small molecules adsorbed on cation sites in zeolite channel systems: IR and DFT investigation (en) Vibrační dynamika malých molekul adsorbovaných v kanálech zeolitů: IR a DFT studie (cs)
skos:prefLabel	Vibrational dynamics of small molecules adsorbed on cation sites in zeolite channel systems: IR and DFT investigation Vibrational dynamics of small molecules adsorbed on cation sites in zeolite channel systems: IR and DFT investigation (en) Vibrační dynamika malých molekul adsorbovaných v kanálech zeolitů: IR a DFT studie (cs)
skos:notation	RIV/61388963:_____/08:00316148!RIV09-AV0-61388963
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/06/0324), P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2009
http://linked.open...aciTvurceVysledku	Nachtigall, Petr Nachtigallová, Dana
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	402622
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/08:00316148
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	vibrational dynamics; adsorption; DFT (en)
http://linked.open.../riv/klicoveSlovo	adsorption vibrational dynamics DFT
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[7FE062F3CE6F]
http://linked.open...i/riv/nazevZdroje	Studies in Surface Science and Catalysis
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (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	2008
http://linked.open...v/svazekPeriodika	174
http://linked.open...iv/tvurceVysledku	Areán, C. O. Bulánek, R. Frolich, K. Nachtigall, Petr Nachtigallová, Dana
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	0167-2991
number of pages	4 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Vibrational dynamics of small molecules adsorbed on cation sites in zeolite channel systems: IR and DFT investigation Vibrational dynamics of small molecules adsorbed on cation sites in zeolite channel systems: IR and DFT investigation Vibrational dynamics of small molecules adsorbed on cation sites in zeolite channel systems: IR and DFT investigation Vibrational dynamics of small molecules adsorbed on cation sites in zeolite channel systems: IR and DFT investigation

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