## Abstract

The cumulative reaction probability is calculated for the H _{2}+OH→H+H_{2}O reaction in its full (six) dimensionality for total angular momentum 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 (J>0) were taken into account approximately to obtain the thermal rate constant k(T) over the range 300°<T<700°. The result deviates significantly from the experimental rate constant, suggesting that the potential energy surface needs to be improved. A systematic series of reduced dimensionality calculations is carried out in order to characterize the behavior and reliability of these more approximate treatments; a comparison of the full dimensional results with previous reduced dimensionality calculations is also made.

Original language | English (US) |
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Pages (from-to) | 4759-4768 |

Number of pages | 10 |

Journal | The Journal of Chemical Physics |

Volume | 101 |

Issue number | 6 |

DOIs | |

State | Published - 1994 |

## ASJC Scopus subject areas

- Physics and Astronomy(all)
- Physical and Theoretical Chemistry