Cluster Quantum-Chemical Study of Dihydrogen, Methane and Water Molecules: Interactions with Pure and Lithium Doped Magnesium Oxide Научная публикация
Сборник | Physics and Chemistry of Finite Systems: From Clusters to Crystals Сборник, Springer Dordrecht. 1992. 1436 c. ISBN 9780792318187. |
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Вых. Данные | Год: 1992, Том: 374, Страницы: 1177-1182 Страниц : 6 DOI: 10.1007/978-94-017-2645-0_162 | ||
Ключевые слова | Methane Molecule; Full Optimization; Dissociative Chemisorption; Chemisorption Energy | ||
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Реферат:
In the framework of supermolecular approach using MINDO/3 method the various channels of dissociative chemisorption of dihydrogen, methane and water molecules on pure and lithium doped magnesium oxide surfaces are considered. On the basis of obtained calculation results the possible ways of these molecules activation on and Li/MgO, the mechanism of destructive interaction of water with magnesia, the nature of surface hydroxyl groups and some other problems are discussed.
Библиографическая ссылка:
Zhanpeisov N.U.
, Zhidomirov G.M.
Cluster Quantum-Chemical Study of Dihydrogen, Methane and Water Molecules: Interactions with Pure and Lithium Doped Magnesium Oxide
В сборнике Physics and Chemistry of Finite Systems: From Clusters to Crystals. – Springer Dordrecht., 1992. – Т.Nato Science Series C: (ASIC, volume 374). – C.1177-1182. – ISBN 9780792318187. DOI: 10.1007/978-94-017-2645-0_162
Cluster Quantum-Chemical Study of Dihydrogen, Methane and Water Molecules: Interactions with Pure and Lithium Doped Magnesium Oxide
В сборнике Physics and Chemistry of Finite Systems: From Clusters to Crystals. – Springer Dordrecht., 1992. – Т.Nato Science Series C: (ASIC, volume 374). – C.1177-1182. – ISBN 9780792318187. DOI: 10.1007/978-94-017-2645-0_162
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OpenAlex | W2478865818 |
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