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This article is cited in 9 scientific papers (total in 9 papers)
Quantum-chemical Methods in Catalysis
G. M. Zhidomirova, N. D. Chuvylkinb a Institute of Catalysis Siberian Branch of the Russian Academy of Sciences, Novosibirsk
b N. D. Zelinskii Institute of Organic Chemistry of the USSR Academy of Sciences, Moscow
Abstract:
The methods and various approximations used in quantum-chemical studies of chemisorption and heterogeneous catalysis have been examined, and the principal directions and aims of these studies characterised. Particular attention has been paid to the concept of local centres in heterogeneous catalysis and its realisation in model quantum-chemical calculations. Various types of active centre on the surface of metals and oxides have been examined, and the questions of their quantum-chemical description discussed. Quantum-chemical calculations of the chemisorption and catalytic properties of the Bronsted and Lewis acidic centres of aluminosilicates and related systems have been reviewed. The bibliography contains 90 references.
Citation:
G. M. Zhidomirov, N. D. Chuvylkin, “Quantum-chemical Methods in Catalysis”, Usp. Khim., 55:3 (1986), 353–370; Russian Chem. Reviews, 55:3 (1986), 153–164
Linking options:
https://www.mathnet.ru/eng/rcr3695https://doi.org/10.1070/RC1986v055n03ABEH003178 https://www.mathnet.ru/eng/rcr/v55/i3/p353
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