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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F09%3A00331212%21RIV10-MSM-61388963
rdf:type
n8:Vysledek skos:Concept
dcterms:description
The structure and stability of nitrosyl complexes formed in Cu-FER zeolite were investigated using a periodic DFT model. The cyclic adsorption complex, having a square-planar arrangement of ligands on Cu+ and interaction via O atoms, is only about 10 kJ mol-1 less stable than the N-down dinitrosyl complex. This cyclic dinitrosyl complex is suggested to be the key intermediate in the deNOx process taking place in Cu-zeolites. The structure and stability of nitrosyl complexes formed in Cu-FER zeolite were investigated using a periodic DFT model. The cyclic adsorption complex, having a square-planar arrangement of ligands on Cu+ and interaction via O atoms, is only about 10 kJ mol-1 less stable than the N-down dinitrosyl complex. This cyclic dinitrosyl complex is suggested to be the key intermediate in the deNOx process taking place in Cu-zeolites.
dcterms:title
Theoretical investigation of dinitrosyl complexes in Cu-zeolites as intermediates in deNOx process Theoretical investigation of dinitrosyl complexes in Cu-zeolites as intermediates in deNOx process
skos:prefLabel
Theoretical investigation of dinitrosyl complexes in Cu-zeolites as intermediates in deNOx process Theoretical investigation of dinitrosyl complexes in Cu-zeolites as intermediates in deNOx process
skos:notation
RIV/61388963:_____/09:00331212!RIV10-MSM-61388963
n3:aktivita
n7:Z n7:P
n3:aktivity
P(GA203/06/0324), P(LC512), Z(AV0Z40550506), Z(MSM0021620857)
n3:cisloPeriodika
9
n3:dodaniDat
n11:2010
n3:domaciTvurceVysledku
n13:1747681 Pulido, Maria Angeles
n3:druhVysledku
n10:J
n3:duvernostUdaju
n6:S
n3:entitaPredkladatele
n5:predkladatel
n3:idSjednocenehoVysledku
346164
n3:idVysledku
RIV/61388963:_____/09:00331212
n3:jazykVysledku
n16:eng
n3:klicovaSlova
zeolites; deNOx; DFT
n3:klicoveSlovo
n15:zeolites n15:deNOx n15:DFT
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[41F42CE1BAE9]
n3:nazevZdroje
Physical Chemistry Chemical Physics
n3:obor
n18:CF
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
2
n3:projekt
n4:LC512 n4:GA203%2F06%2F0324
n3:rokUplatneniVysledku
n11:2009
n3:svazekPeriodika
11
n3:tvurceVysledku
Nachtigall, Petr Pulido, Maria Angeles
n3:wos
000263462500021
n3:zamer
n14:MSM0021620857 n14:AV0Z40550506
s:issn
1463-9076
s:numberOfPages
12