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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F04%3A00100891%21RIV%2F2005%2FMSM%2FA57005%2FN
rdf:type
skos:Concept n17:Vysledek
dcterms:description
The interaction of pyrrole with alkali metal ion exchanged ZSM-5 (Li+, Na+, K+, Rb+, and Cs+) was studied by the combination of FTIR spectroscopy and the computational hybrid quantum mechanics/interatomic potential function method describing the role of the aluminum framework content and aluminum distribution, pyrrole coverage, cation size, and cation coordination type. The experimental spectral characteristics were explained using the comparison with the results of computational study Pomocí FTIR spektroskopie a pomocí kombinované kvantově mechanické/molekulově mechanické metody byla studována interakce pyrrolu s ionty alkalických kovů (Li+, Na+, K+, Rb+, and Cs+) v ZMS-5. Byly studovány vlivy množství a distribuce mřížkového hliníku, pokrytí pyrrolu, velikosti kationtu a koordinace kationtu. Experimentální spektrální charakteristiky byly interpretovány pomocí výsledků teoretického studia The interaction of pyrrole with alkali metal ion exchanged ZSM-5 (Li+, Na+, K+, Rb+, and Cs+) was studied by the combination of FTIR spectroscopy and the computational hybrid quantum mechanics/interatomic potential function method describing the role of the aluminum framework content and aluminum distribution, pyrrole coverage, cation size, and cation coordination type. The experimental spectral characteristics were explained using the comparison with the results of computational study
dcterms:title
Charakterizace bazických pozic v ZSM-5 pomocí molekuly pyrrolu: kombinovaná FTIR a teoretická studie Pyrrole as a probe molecule for characterization of basic sites in ZSM-5: A combined FTIR spectroscopy and computional study Pyrrole as a probe molecule for characterization of basic sites in ZSM-5: A combined FTIR spectroscopy and computional study
skos:prefLabel
Pyrrole as a probe molecule for characterization of basic sites in ZSM-5: A combined FTIR spectroscopy and computional study Pyrrole as a probe molecule for characterization of basic sites in ZSM-5: A combined FTIR spectroscopy and computional study Charakterizace bazických pozic v ZSM-5 pomocí molekuly pyrrolu: kombinovaná FTIR a teoretická studie
skos:notation
RIV/61388963:_____/04:00100891!RIV/2005/MSM/A57005/N
n3:strany
16012;16022
n3:aktivita
n9:Z n9:P
n3:aktivity
P(IAA4040001), P(LN00A032), Z(AV0Z4055905)
n3:cisloPeriodika
-
n3:dodaniDat
n6:2005
n3:domaciTvurceVysledku
n5:2779129 n5:1747681
n3:druhVysledku
n14:J
n3:duvernostUdaju
n12:S
n3:entitaPredkladatele
n15:predkladatel
n3:idSjednocenehoVysledku
583284
n3:idVysledku
RIV/61388963:_____/04:00100891
n3:jazykVysledku
n18:eng
n3:klicovaSlova
basicity;zeolite;DFT calculations
n3:klicoveSlovo
n10:zeolite n10:DFT%20calculations n10:basicity
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[E0AB3DED7FA9]
n3:nazevZdroje
Journal of Physical Chemistry B
n3:obor
n8:CF
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
5
n3:projekt
n16:IAA4040001 n16:LN00A032
n3:rokUplatneniVysledku
n6:2004
n3:svazekPeriodika
108
n3:tvurceVysledku
Košová, Gabriela Čejka, Jiří Kotrla, Josef Kučera, Jan Nachtigall, Petr
n3:zamer
n11:AV0Z4055905
s:issn
1520-6106
s:numberOfPages
11