## Abstract

We present a simple, yet remarkably accurate, approximate formula for the calculation of cumulative reaction probabilities and chemical reaction rates based on a separable-rotation approximation. The method allows a calculation of the full rate constant based on results for a single value of the total angular momentum J, and a criterion for selecting an appropriate value of J is provided. The method is tested for the D+H_{2} reaction by new accurate quantal calculations of the cumulative reaction probability and by comparisons employing previous accurate quantal calculations of rate constants. The rate constants predicted from results with a single value of J agree with full calculations to within 5% for reaction rates up to 1500 K.

Original language | English (US) |
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Pages (from-to) | 441-446 |

Number of pages | 6 |

Journal | Chemical Physics Letters |

Volume | 216 |

Issue number | 3-6 |

DOIs | |

State | Published - Dec 31 1993 |

Externally published | Yes |

## ASJC Scopus subject areas

- General Physics and Astronomy
- Physical and Theoretical Chemistry