Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F08%3A00315570" target="_blank" >RIV/61388955:_____/08:00315570 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study
Original language 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 "nest" on the SiO4 local geometry as well as 29Si NMR chemical shift. Silanol "nests" are a model of a defect (vacant T site after a dealumination) in a zeolite framework.
Czech name
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/IAA400400812" target="_blank" >IAA400400812: Quantum chemistry investigation of inorganic crystalline micro- and mesoporous catalytic systems</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
Zeolites and Related Materials: Trends, Targets and Challenges
ISBN
978-0-444-53297-8
ISSN
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e-ISSN
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Number of pages
4
Pages from-to
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Publisher name
Elsevier B.V./Ltd
Place of publication
Oxford
Event location
Paris
Event date
Sep 1, 2008
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
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