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Variational transition-state theory study of the atmospheric reaction OH + O3 →...

We report variational transition-state theory calculations for the OH + O3rarr HO2 + O2 reaction based on the recently reported double many-body expansion potential energy surface for ground-state HO4 [Chem Phys Lett 2000, 331, 474]. The barrier height of 1.884 kcal mol-1 is comparable to the value of 1.77-2.0 kcal mol-1 suggested by experimental measurements, both much smaller than the value of 2.16-5.11 kcal ...