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Statements

Subject Item
n2:RIV%2F61388955%3A_____%2F01%3A54010219%21RIV%2F2003%2FAV0%2FA54003%2FN
rdf:type
n14:Vysledek skos:Concept
dcterms: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.
dcterms: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.
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.
skos:notation
RIV/61388955:_____/01:54010219!RIV/2003/AV0/A54003/N
n3:strany
4791;4795
n3:aktivita
n5:Z n5:P
n3:aktivity
P(GA203/00/0637), P(LN00A032), Z(AV0Z4040901)
n3:cisloPeriodika
21
n3:dodaniDat
n11:2003
n3:domaciTvurceVysledku
n10:9831339 n10:8602077 n10:1747681
n3:druhVysledku
n17:J
n3:duvernostUdaju
n12:S
n3:entitaPredkladatele
n18:predkladatel
n3:idSjednocenehoVysledku
675372
n3:idVysledku
RIV/61388955:_____/01:54010219
n3:jazykVysledku
n16:eng
n3:klicovaSlova
zeolite ZSM-5; - silver; - catalysis
n3:klicoveSlovo
n7:-%20silver n7:zeolite%20ZSM-5 n7:-%20catalysis
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[DBDD9D0DE306]
n3:nazevZdroje
Physical Chemistry Chemical Physics
n3:obor
n9:CF
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
3
n3:pocetUcastnikuAkce
0
n3:pocetZahranicnichUcastnikuAkce
0
n3:projekt
n6:LN00A032 n6:GA203%2F00%2F0637
n3:rokUplatneniVysledku
n11:2001
n3:svazekPeriodika
3
n3:tvurceVysledku
Nachtigall, Petr Šilhan, Martin Nachtigallová, Dana
n3:zamer
n13:AV0Z4040901
s:issn
1463-9076
s:numberOfPages
5