Abstract
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.
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Translated fromZhurnal Strukturnoi Khimii, Vol. 39, No. 5, pp. 947–961, September–October, 1998
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Godunov, I.A., Abramenkov, A.V. & Yakovlev, N.N. Determination of the potential functions of molecular inversion from experimental data: Current state and problems. J Struct Chem 39, 774–785 (1998). https://doi.org/10.1007/BF02903550
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DOI: https://doi.org/10.1007/BF02903550