## Abstract

Ab initio direct dynamics was used to calculate product energy distributions for the F + C_{2}H_{4} → C_{2}H_{3}F + H reaction. A broad product translational energy distribution, similar to that observed experimentally, is found when the trajectories are initialized with a statistical vibrational energy distribution at the exit channel barrier. The trajectories show that, on average, orbital angular momentum is conserved in going from the exit channel barrier to products, and a model which incorporates this dynamical constraint reproduces the ensemble averaged trajectory results.

Original language | English |
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Pages (from-to) | 621-627 |

Number of pages | 7 |

Journal | Chemical Physics Letters |

Volume | 288 |

Issue number | 5-6 |

DOIs | |

State | Published - May 29 1998 |

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