Cluster Quantum Chemical Study of Interaction of Molecules with a Magnesium-Oxide Surface. 1. Dissociative Chemisorption of Hydrogen and Methane Molecules Full article
Journal |
Kinetics and Catalysis
ISSN: 0023-1584 , E-ISSN: 1608-3210 |
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Output data | Year: 1990, Volume: 31, Number: 3-1, Pages: 491-496 Pages count : 6 | ||
Tags | Catalysis - Computer Aided Analysis; Hydrogen - Sorption; Magnesia - Surface Properties; Methane - Dissociation; Quantum Theory | ||
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Abstract:
We have expanded the parameterization of the MINDO/3 quantum chemical method for consideration of compounds containing magnesium atoms. Within the supermolecular approximation, we consider the reactions of dissociative chemisorption of H2 and CH4 molecules on a dehydroxylated MgO surface.
Cite:
Zhanpeisov N.U.
, Pelʹmenshhikov A.G.
, Zhidomirov G.M.
Cluster Quantum Chemical Study of Interaction of Molecules with a Magnesium-Oxide Surface. 1. Dissociative Chemisorption of Hydrogen and Methane Molecules
Kinetics and Catalysis. 1990. V.31. N3-1. P.491-496. WOS Scopus РИНЦ
Cluster Quantum Chemical Study of Interaction of Molecules with a Magnesium-Oxide Surface. 1. Dissociative Chemisorption of Hydrogen and Methane Molecules
Kinetics and Catalysis. 1990. V.31. N3-1. P.491-496. WOS Scopus РИНЦ
Original:
Жанпеисов Н.У.
, Пельменщиков А.Г.
, Жидомиров Г.М.
Кластерное квантово-химическое исследование взаимодействия молекул с поверхностью оксида магния. I. Диссоциативная хемосорбция молекул водорода и метана
Кинетика и катализ. 1990. Т.31. №3. С.563-569. РИНЦ
Кластерное квантово-химическое исследование взаимодействия молекул с поверхностью оксида магния. I. Диссоциативная хемосорбция молекул водорода и метана
Кинетика и катализ. 1990. Т.31. №3. С.563-569. РИНЦ
Dates:
Submitted: | Jan 26, 1989 |
Published print: | Nov 1, 1990 |
Identifiers:
Web of science | WOS:A1990EW73800009 |
Scopus | 2-s2.0-0025511846 |
Elibrary | 31095231 |