About: Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study

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About: Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Local geometry of AlO4 and SiO4 tetrahedra in silicon rich (Si/Al 38) chabasite was investigated using 27Al 3Q and 29Si MAS NMR spectroscopy and QM-Pot calculations. We further studied the effects of (1) Al as nearest neighbor and (2) silanol %22nest%22 on the SiO4 local geometry as well as 29Si NMR chemical shift. Silanol %22nests%22 are a model of a defect (vacant T site after a dealumination) in a zeolite framework. Local geometry of AlO4 and SiO4 tetrahedra in silicon rich (Si/Al 38) chabasite was investigated using 27Al 3Q and 29Si MAS NMR spectroscopy and QM-Pot calculations. We further studied the effects of (1) Al as nearest neighbor and (2) silanol %22nest%22 on the SiO4 local geometry as well as 29Si NMR chemical shift. Silanol %22nests%22 are a model of a defect (vacant T site after a dealumination) in a zeolite framework. (en)
Title	Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study (en)
skos:prefLabel	Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study (en)
skos:notation	RIV/61388955:_____/08:00315570!RIV10-AV0-61388955
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA400400812), Z(AV0Z40400503)
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Sklenák, Štěpán Dědeček, Jiří Gao, Fei Li, Chengbin Jansang, Bavornpon
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
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	377003
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/08:00315570
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	chabazite; silanol %22nest%22; defect; QM-Pot (en)
http://linked.open.../riv/klicoveSlovo	chabazite defect silanol %22nest%22 QM-Pot
http://linked.open...ontrolniKodProRIV	[AC77FA0CA301]
http://linked.open...v/mistoKonaniAkce	Paris
http://linked.open...i/riv/mistoVydani	Oxford
http://linked.open...i/riv/nazevZdroje	Zeolites and Related Materials: Trends, Targets and Challenges
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	5 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Quantum chemistry investigation of inorganic crystalline micro- and mesoporous catalytic systems
http://linked.open...UplatneniVysledku	2008
http://linked.open...iv/tvurceVysledku	Dědeček, Jiří Gao, Fei Li, Chengbin Sklenák, Štěpán Sauer, J. Jansang, Bavornpon
http://linked.open...vavai/riv/typAkce	WRD - Světová
http://linked.open.../riv/zahajeniAkce	2008-09-01 (xsd:date)
http://linked.open...n/vavai/riv/zamer	Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace
number of pages	4 (xsd:int)
http://purl.org/ne...btex#hasPublisher	Elsevier
https://schema.org/isbn	978-0-444-53297-8
is http://linked.open...avai/riv/vysledek of	Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study

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