Molecular Models in the Quantum-Chemical Investigation of the Structure of Defect Centers on Oxide Catalysts Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 1986, Volume: 27, Number: 6, Pages: 971-978 Pages count : 8 DOI: 10.1007/BF00755213 | ||
Tags | Oxide; Physical Chemistry; Inorganic Chemistry; Molecular Model; Oxide Catalyst | ||
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Abstract:
Several possibilities of the use of molecular models in quantum-chemical investigations of the structure of defect centers on the surfaces of oxides of nontransition elements have been illustrated. There has been a special discussion
of the assumption of the local nature of the chemical interactions in these systems, which underlies such an approach, and of the consequent laws governing the formation of their lattices in the example cases of zeolites, kaolinites,
and comparable boron- and aluminum-containing oxides. A quantum-chemical interpretation of the body of experimental data from investigations of the dehydroxylation of H forms of zeolites has been given. The structure of the Lewis acid centers formed as a result, and their chemisorption properties, have been discussed
Cite:
Zhidomirov G.M.
, Pelʹmenshhikov A.G.
Molecular Models in the Quantum-Chemical Investigation of the Structure of Defect Centers on Oxide Catalysts
Journal of Structural Chemistry. 1986. V.27. N6. P.971-978. DOI: 10.1007/BF00755213 WOS Scopus РИНЦ
Molecular Models in the Quantum-Chemical Investigation of the Structure of Defect Centers on Oxide Catalysts
Journal of Structural Chemistry. 1986. V.27. N6. P.971-978. DOI: 10.1007/BF00755213 WOS Scopus РИНЦ
Original:
Жидомиров Г.М.
, Пельменщиков А.Г.
Молекулярные модели в квантово-химическом исследовании строения дефектных центров оксидных катализаторов
Журнал структурной химии. 1986. Т.27. №6. С.150-157. РИНЦ
Молекулярные модели в квантово-химическом исследовании строения дефектных центров оксидных катализаторов
Журнал структурной химии. 1986. Т.27. №6. С.150-157. РИНЦ
Dates:
Submitted: | Feb 10, 1986 |
Published print: | Nov 1, 1986 |
Identifiers:
Web of science | WOS:A1986J425600023 |
Scopus | 2-s2.0-34250100878 |
Elibrary | 30925007 |
OpenAlex | W2029741617 |
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