About: Ab initio Simulation of Cu-Species in Zeolites: Siting, Coordination, UV-VIS Spectra and Reactivity.

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About: Ab initio Simulation of Cu-Species in Zeolites: Siting, Coordination, UV-VIS Spectra and Reactivity. 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	Reliability of various models commonly used for the description of interaction of transition metal ions with zeolite matrices was investigated and discused. Currently the most reliable combined quantum mechanics/molecular mechanics model was used for the study of copper ion interaction with high-silica zeolite matrices (ZSM-5,FER). The interaction of copper sites inside the zeolite matrices with NO molecule was also investigated. Reliability of various models commonly used for the description of interaction of transition metal ions with zeolite matrices was investigated and discused. Currently the most reliable combined quantum mechanics/molecular mechanics model was used for the study of copper ion interaction with high-silica zeolite matrices (ZSM-5,FER). The interaction of copper sites inside the zeolite matrices with NO molecule was also investigated. (en)
Title	Ab initio Simulation of Cu-Species in Zeolites: Siting, Coordination, UV-VIS Spectra and Reactivity. Ab initio Simulation of Cu-Species in Zeolites: Siting, Coordination, UV-VIS Spectra and Reactivity. (en)
skos:prefLabel	Ab initio Simulation of Cu-Species in Zeolites: Siting, Coordination, UV-VIS Spectra and Reactivity. Ab initio Simulation of Cu-Species in Zeolites: Siting, Coordination, UV-VIS Spectra and Reactivity. (en)
skos:notation	RIV/61388955:_____/01:54010081!RIV/2003/AV0/A54003/N
http://linked.open.../vavai/riv/strany	221;234
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/97/P011), P(LN00A032), Z(AV0Z4040901)
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Nachtigall, Petr Nachtigallová, Dana
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
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	672397
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/01:54010081
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ZSM-5; - copper ions coordination; - UV-VIS (en)
http://linked.open.../riv/klicoveSlovo	- UV-VIS - copper ions coordination ZSM-5
http://linked.open...ontrolniKodProRIV	[A70D0B52EDFD]
http://linked.open...v/mistoKonaniAkce	Praha-Průhonice [CZ]
http://linked.open...i/riv/mistoVydani	Dordrecht
http://linked.open...i/riv/nazevZdroje	Proceedings of the NATO Advanced Research Workshop on Catalysis by Unique Metal Ion Structures in Solid Matrices.
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (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	Structure and dynamics of complex molecular systems and biomolecules 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...iv/tvurceVysledku	Nachtigall, Petr Nachtigallová, Dana Sauer, J.
http://linked.open...vavai/riv/typAkce	WRD - Světová
http://linked.open.../riv/zahajeniAkce	2000-07-04 (xsd:date)
http://linked.open...n/vavai/riv/zamer	Objasňování zákonitostí vztahů struktury a vlastností - zejména dynamiky a chemické reaktivity - látek a molekulárních systémů
number of pages	14 (xsd:int)
http://purl.org/ne...btex#hasPublisher	Kluwer Academic

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