Reaction rates of BrH+Cl→Br+HCl using semiclassical transition state theory
作者： Michael J. Cohen , Andrew Willetts , Nicholas C. Handy
DOI: 10.1016/0009-2614(94)00475-7
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摘要: Abstract The semiclassical transition state theory, introduced by the authors with Miller and Hernandez, for calculation of cumulative reaction probabilities thermal rates, is used to investigate HBr+Cl→Br+HCl. rates are compared experimental values quantum mechanical variational theory calculations.
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