Quantum Mechanical Rate Constants for O + OH ⇌ H + O2 for Total Angular Momentum J > 0

Thermal rate constants have been calculated for the titled reaction for total angular momentum J > 0 using the quantum flux correlation function methodology of Thompson and Miller [Thompson, W. H.; Miller, W. H. J. Chem. Phys. 1995, 102, 7409]. This generalizes earlier work by two of us [Germann,T. C.; Miller, W. H. J. Phys. Chem. A 1997, 101, 6358] for J = 0. A helicity conserving approximation (HCA) is used for the present J > 0 calculations, and it and other approximations for treating J > 0 are discussed and compared. The results show that for this reaction the much simpler J -shifting approximation (JSA) is reasonably accurate (to 10−20% in the rate constants), provided the appropriate choice is made for the reference geometry in this approach.