About: Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra.

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About: Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra. Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The interaction of the Cu+ ion in the lowest 3d(10) singlet and 3d(9)s(1) triplet states with the ferrierite matrix is studies computationally by means of a combined quantum mechanics/interatomic potential function technique. Contrary to ZSM-5, the sites on the wall of the main and perpendicular channels of ferrierite are more stable than the sites located on the channel intersection. It is suggested that the differences in populations of sites on the channel intersection found for ZSM-5 and ferrierite. The interaction of the Cu+ ion in the lowest 3d(10) singlet and 3d(9)s(1) triplet states with the ferrierite matrix is studies computationally by means of a combined quantum mechanics/interatomic potential function technique. Contrary to ZSM-5, the sites on the wall of the main and perpendicular channels of ferrierite are more stable than the sites located on the channel intersection. It is suggested that the differences in populations of sites on the channel intersection found for ZSM-5 and ferrierite. (en)
Title	Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra. Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra. (en)
skos:prefLabel	Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra. Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra. (en)
skos:notation	RIV/61388955:_____/01:54010069!RIV/2003/AV0/A54003/N
http://linked.open.../vavai/riv/strany	3510;3517
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/00/0637), P(GA203/97/P011), Z(AV0Z4040901)
http://linked.open...iv/cisloPeriodika	17
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Davidová, Markéta 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 fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	676144
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/01:54010069
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ZSM-5; - copper coordination; - catalysis (en)
http://linked.open.../riv/klicoveSlovo	- catalysis ZSM-5 - copper coordination
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[A7C45BECD32C]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry. B
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Theoretical study of interactions of transition metal ions with zeolites Theoretical studies on the nature of Cu sites in Cu/zeolite complexes and their catalytical activity for NO decomposition
http://linked.open...UplatneniVysledku	2001
http://linked.open...v/svazekPeriodika	105
http://linked.open...iv/tvurceVysledku	Nachtigall, Petr Nachtigallová, Dana Davidová, Markéta
http://linked.open...n/vavai/riv/zamer	Objasňování zákonitostí vztahů struktury a vlastností - zejména dynamiky a chemické reaktivity - látek a molekulárních systémů
issn	1089-5647
number of pages	8 (xsd:int)

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