## Quantum mechanical calculations of the rate constant for the H[sub 2]+OH[r arrow]H+H[sub 2]O reaction: Full-dimensional results and comparison to reduced dimensionality models

The cumulative reaction probability is calculated for the H[sub 2]+OH[r arrow]H+H[sub 2]O reaction in its full (six) dimensionality for total angular momentum [ital J]=0. The calculation, which should give the (numerically) exact result for the assumed potential energy surface, yields the cumulative reaction probability directly, without having to solve the complete state-to-state reactive scattering problem. Higher angular momenta ([ital J][gt]0) were taken into account approximately to obtain the thermal rate constant [ital k]([ital T]) over the range 300[degree][lt][ital T][lt]700[degree]. The result deviates significantly from the experimental rate constant, suggesting that the potential energy surface needs to be improved. A systematicmore »