Determination of the potential functions of molecular inversion from experimental data: Current state and problems

Citation
Ia. Godunov et al., Determination of the potential functions of molecular inversion from experimental data: Current state and problems, J STRUCT CH, 39(5), 1998, pp. 774-785
Citations number
26
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
00224766 → ACNP
Volume
39
Issue
5
Year of publication
1998
Pages
774 - 785
Database
ISI
SICI code
0022-4766(199809/10)39:5<774:DOTPFO>2.0.ZU;2-U
Abstract
Various approximations of the method of determining two-well potential func tions of molecular inversion from experimental data (geometrical parameters and inversion level energies) are considered. The potential of the method is illustrated by reference to carbonyl molecules in the lowest excited sta tes. Some of the current problems are discussed.