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JOURNALS // Uspekhi Khimii // Archive

Usp. Khim., 1971 Volume 40, Issue 2, Pages 349–367 (Mi rcr2430)

This article is cited in 7 papers

Non-empirical Calculations of the Force Constants for Small Molecules

V. P. Morozov, V. V. Rossikhin

Dnepropetrovsk Institute of Chemical Technology

Abstract: The review gives a consistent description and analysis of the ideas underlying the determination of potential constants (coefficients of the potential function formulated as a power series in terms of generalised coordinates) for diatomic and simple monatomic molecules using quantum-chemical methods. Calculations for specific molecules of greatest interest both theoretically and practically are briefly considered; the results of these calculations are presented in the form of tables.
The bibliography includes 80 references.

UDC: 543.42:541.61

DOI: 10.1070/RC1971v040n02ABEH001906


 English version:
Russian Chemical Reviews, 1971, 40:2, 196–205

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© Steklov Math. Inst. of RAS, 2024