Quantum mechanical calculation of the rate constant for the reaction H+O2→OH+O
- 1 January 1994
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 100 (1) , 733-735
- https://doi.org/10.1063/1.466940
Abstract
Rigorous three‐dimensional quantum mechanical calculations have been carried out for the cumulative reaction probability of the titled reaction for total angular momentum, J=0. Higher values of J are included approximately, and the resulting thermal rate constant agrees well with experimental values for 800≤T≤3000 K.Keywords
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