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Reaction rates of BrH+Cl→Br+HCl using semiclassical transition state theory

✍ Scribed by Michael J. Cohen; Andrew Willetts; Nicholas C. Handy

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
517 KB
Volume
223
Category
Article
ISSN
0009-2614

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✦ Synopsis

The semiclassical transition state theory, introduced by the authors with Miller and Hemandez, for the calculation of cumulative reaction probabilities and thermal reaction rates, is used to investigate the reaction HBr + Cl+Br + HCl. The reaction rates are compared with experimental values and to quantum mechanical and variational transition state theory calculations.

1. Intraductlon

*' This paper refers to the H2 + OH reaction in particular. Note that Fig. 1 of this reference is inconsistent with Table 1. R3 should be replaced by Rl, Rl by R2 and R2 by R3. The HOH angle is 0 and the anale between H2 and the extrapolation of OH is 0. Further, the units in Table 1 are consistent with an energy in mdyne A. We thank Professor P. Botschwina for bringing these errors to our attention.

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