Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
83 (1985), S. 1685-1692
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Close-coupling calculations on the H+BrH(v=0, j)→HBr(v=0, j′)+H reaction in three dimensions are reported. Cross sections have been computed for an energy range sufficient to give a converged rate constant at room temperature. The results are used to test the accuracy of sudden approximations and a variational transition state theory with tunneling correction. It is found that these approximate theories slightly overestimate the reaction rate constant.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.449355
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