Quantum-Chemical Examination of the Factors Rule in Terms of Simplest Cluster Calculation Approaches Full article
Journal |
Reaction Kinetics and Catalysis Letters
ISSN: 0133-1736 , E-ISSN: 1588-2837 |
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Output data | Year: 1984, Volume: 25, Number: 1-2, Pages: 83-86 Pages count : 4 DOI: 10.1007/BF02076545 | ||||
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Abstract:
CNDO/BW examination of the factors rule in terms of the cluster approach has revealed its validity not only for the adsorption energy and the frequency shift of the stretching vibrations in the formation of hydrogen bonds but also for the variations of the hydrogen atom charge and the OH bond length.
Cite:
Tsitsishvili G.V.
, Khuroshvili D.V.
, Zhidomirov G.M.
, Pelmenschikov A.G.
Quantum-Chemical Examination of the Factors Rule in Terms of Simplest Cluster Calculation Approaches
Reaction Kinetics and Catalysis Letters. 1984. V.25. N1-2. P.83-86. DOI: 10.1007/BF02076545 WOS Scopus РИНЦ
Quantum-Chemical Examination of the Factors Rule in Terms of Simplest Cluster Calculation Approaches
Reaction Kinetics and Catalysis Letters. 1984. V.25. N1-2. P.83-86. DOI: 10.1007/BF02076545 WOS Scopus РИНЦ
Dates:
Submitted: | May 19, 1983 |
Accepted: | Jul 20, 1983 |
Published print: | Mar 1, 1984 |
Identifiers:
Web of science | WOS:A1984TC70800017 |
Scopus | 2-s2.0-34250139697 |
Elibrary | 31435713 |
Chemical Abstracts | 1984:489967 |
Chemical Abstracts (print) | 101:89967 |
OpenAlex | W2091614877 |