Computational studies of reactive/non-reactive branching ratios for a simple model system

Reactive/non-reactive branching ratios and the energy distribution in both branches were computed using analytical classical mechanics for an idealized collinear collision. The trajectory generated branching ratios are compared with the predictions of an information theoretic approach assuming only knowledge of the products state distribution. Over a wide range of variations in energy distribution in the reactants, vibrational energy spacings and the major topography of the potential energy surface it is found that the information theoretic branching ratio is invariably in qualitative accord with the direct computation.