About: Characterization of Ag+ Sites in ZSM-5: A Combined Quantum Mechanics/Interatomic Potential Function Study.

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About: Characterization of Ag+ Sites in ZSM-5: A Combined Quantum Mechanics/Interatomic Potential Function Study. 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 Ag+ ions with the ZSM-5 lattice was studied by means of a combined quantum mechanics/interatomic potential function method. A new Ag(I)-O interaction potential was parametrized based on ab initio data and its quality was tested. The calculated vertical excitation energies of T<-S transition show a strong correlation with the coordination number of the Ag+ ions. The interaction of Ag+ ions with the ZSM-5 lattice was studied by means of a combined quantum mechanics/interatomic potential function method. A new Ag(I)-O interaction potential was parametrized based on ab initio data and its quality was tested. The calculated vertical excitation energies of T<-S transition show a strong correlation with the coordination number of the Ag+ ions. (en)
Title	Characterization of Ag+ Sites in ZSM-5: A Combined Quantum Mechanics/Interatomic Potential Function Study. Characterization of Ag+ Sites in ZSM-5: A Combined Quantum Mechanics/Interatomic Potential Function Study. (en)
skos:prefLabel	Characterization of Ag+ Sites in ZSM-5: A Combined Quantum Mechanics/Interatomic Potential Function Study. Characterization of Ag+ Sites in ZSM-5: A Combined Quantum Mechanics/Interatomic Potential Function Study. (en)
skos:notation	RIV/61388955:_____/01:54010219!RIV/2003/AV0/A54003/N
http://linked.open.../vavai/riv/strany	4791;4795
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/00/0637), P(LN00A032), Z(AV0Z4040901)
http://linked.open...iv/cisloPeriodika	21
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Šilhan, Martin 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	675372
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/01:54010219
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	zeolite ZSM-5; - silver; - catalysis (en)
http://linked.open.../riv/klicoveSlovo	- silver - catalysis zeolite ZSM-5
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[DBDD9D0DE306]
http://linked.open...i/riv/nazevZdroje	Physical Chemistry Chemical Physics
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	Structure and dynamics of complex molecular systems and biomolecules Theoretical study of interactions of transition metal ions with zeolites
http://linked.open...UplatneniVysledku	2001
http://linked.open...v/svazekPeriodika	3
http://linked.open...iv/tvurceVysledku	Nachtigall, Petr Nachtigallová, Dana Šilhan, Martin
http://linked.open...n/vavai/riv/zamer	Objasňování zákonitostí vztahů struktury a vlastností - zejména dynamiky a chemické reaktivity - látek a molekulárních systémů
issn	1463-9076
number of pages	5 (xsd:int)

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