Abstract: We report quantum mechanical calculations of cross sections and rate coefficients for the O+H2→OH+H reaction using the chemically accurate potential energy surfaces of A'3 and A"3 geometry by Rogers et al. [J. Phys. Chem. A 104, 2308 (2000)]. Calculations were performed for total angular momentum quantum number J=0 and the J-shifting approximation was applied to obtain cumulative reaction probabilities, initial state selected reaction cross sections, and thermal rate coefficients. The reliability of the J-shifting approximation was tested by ...
(read more)
Topics: 
Atomic physics
Thermodynamics