About: Pyrrole as a probe molecule for characterization of basic sites in ZSM-5: A combined FTIR spectroscopy and computional study

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About: Pyrrole as a probe molecule for characterization of basic sites in ZSM-5: A combined FTIR spectroscopy and computional 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	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 (cs) 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 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 (en)
Title	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 (cs) Pyrrole as a probe molecule for characterization of basic sites in ZSM-5: A combined FTIR spectroscopy and computional study (en)
skos:prefLabel	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 (cs) Pyrrole as a probe molecule for characterization of basic sites in ZSM-5: A combined FTIR spectroscopy and computional study (en)
skos:notation	RIV/61388963:_____/04:00100891!RIV/2005/MSM/A57005/N
http://linked.open.../vavai/riv/strany	16012;16022
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA4040001), P(LN00A032), Z(AV0Z4055905)
http://linked.open...iv/cisloPeriodika	-
http://linked.open...vai/riv/dodaniDat	2005
http://linked.open...aciTvurceVysledku	Nachtigall, Petr Kučera, Jan
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 organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	583284
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/04:00100891
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	basicity;zeolite;DFT calculations (en)
http://linked.open.../riv/klicoveSlovo	zeolite DFT calculations basicity
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[E0AB3DED7FA9]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry B
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Structure and dynamics of complex molecular systems and biomolecules Basic molecular sieves for selective side-chain alkylation of toluene
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	108
http://linked.open...iv/tvurceVysledku	Kučera, Jan Nachtigall, Petr Čejka, Jiří Košová, Gabriela Kotrla, Josef
http://linked.open...n/vavai/riv/zamer	Chemical principles of selected biological phenomena in medicine and ecology
issn	1520-6106
number of pages	11 (xsd:int)

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