Quantum-Chemical Methods in Catalysis Review
Journal |
Russian Chemical Reviews
ISSN: 0036-021X , E-ISSN: 1468-4837 |
||||
---|---|---|---|---|---|
Output data | Year: 1986, Volume: 55, Number: 3, Pages: 153-164 Pages count : 12 DOI: 10.1070/RC1986v055n03ABEH003178 | ||||
Authors |
|
||||
Affiliations |
|
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.
Cite:
Zhidomirov G.M.
, Chuvylkin N.D.
Quantum-Chemical Methods in Catalysis
Russian Chemical Reviews. 1986. V.55. N3. P.153-164. DOI: 10.1070/RC1986v055n03ABEH003178 Scopus РИНЦ
Quantum-Chemical Methods in Catalysis
Russian Chemical Reviews. 1986. V.55. N3. P.153-164. DOI: 10.1070/RC1986v055n03ABEH003178 Scopus РИНЦ
Original:
Жидомиров Г.М.
, Чувылкин Н.Д.
Квантовохимические методы в катализе
Успехи химии. 1986. Т.55. №3. С.353-370. РИНЦ
Квантовохимические методы в катализе
Успехи химии. 1986. Т.55. №3. С.353-370. РИНЦ
Dates:
Published print: | Mar 31, 1986 |
Published online: | Oct 17, 2007 |
Identifiers:
Scopus | 2-s2.0-0041711930 |
Elibrary | 32803254 |
OpenAlex | W1970826131 |