✦ LIBER ✦

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

✍ Scribed by U. Halavee; M. Tamir; R.D. Levine

Publisher: Elsevier Science
Year: 1976
Tongue: English
Weight: 573 KB
Volume: 41
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(76)85232-3

No coin nor oath required. For personal study only.

✦ Synopsis

Rezctivelnon-reactive

branching ratios and the energy distribution in both branches were computed using arzaiytical classical mechanics for an idealized collinear collision. The trajectory generated branching ratios are compared with the predictions of 3x1 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 rhe 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.

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