## Abstract

The quantum dynamics of three and four degrees-of-freedom planar models of the OH+CO→H+CO_{2} reaction are discussed. These computationally intensive calculations, which are carried out on a scalable parallel computer, illustrate the role of HOCO reaction intermediates or scattering resonances. The results are contrasted with previous two and three degrees-of-freedom quantum results, as well as with two, three, four, and six degrees-of-freedom quasiclassical trajectory calculations. While our quantum calculations are restricted to total angular momentum J=0, it is possible to estimate the thermal rate constant using a J-shifting approximation, and to make comparison with experiment and previous full-dimensional classical trajectory results.

Original language | English |
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Pages (from-to) | 8807-8817 |

Number of pages | 11 |

Journal | Journal of Chemical Physics |

Volume | 102 |

Issue number | 22 |

Publication status | Published - 1995 |

## ASJC Scopus subject areas

- Atomic and Molecular Physics, and Optics