Large scale vibrational calculations on IVR in S0 thiophosgene.

In this work, using a recently derived refined potential energy surface for thiophosgene, we perform large scale vibrational calculations to explore the IVR characteristics and vibrational mixing at very high vibrational excitation energies, ranging up to the dissociation limit (at 20,000cm). The results from our calculations have been compared to the conclusions based on the available experimentally measured dataset (obtained from SEP and LIF spectra) as well as to the conclusions from the analyses by other authors using local coupling models. [ABSTRACT FROM AUTHOR]