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

Various approximations of the method of determining two-well potential functions 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...

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Veröffentlicht in:Journal of structural chemistry 1998-09, Vol.39 (5), p.774-785
Hauptverfasser: Godunov, I. A., Abramenkov, A. V., Yakovlev, N. N.
Format: Artikel
Sprache:eng
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Zusammenfassung:Various approximations of the method of determining two-well potential functions 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 states. Some of the current problems are discussed.
ISSN:0022-4766
1573-8779
DOI:10.1007/BF02903550