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Dynamically Modified Torsional Eigenstates for Single-Top Molecules
1Faculty of Science and Technology, La Trobe University, Bundoora, Victoria, 3083, Australia
Journal of Molecular Spectroscopy
|December 16, 1998
Abstract:
We present a semiclassical treatment for the inclusion of kinetic energy-dependent variations in the moment of inertia for certain molecules exhibiting internal rotational motion. The model is applied to trifluoroacetyl bromide and the resulting dynamically modified transition energies yield an improved spectral deviation in contrast to the rigid model. Copyright 1998 Academic Press.