Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions

Bi Yu Tang, Ben Hui Yang, Ke Li Han, Rui Qin Zhang, John Z.H. Zhang

Research output: Contribution to journalArticlepeer-review

Abstract

Three-dimensional time-dependent quantum wave-pack calculations were carried out for the F+HCl and F+DCl reactions. The energy-dependence of reaction probability exhibited oscillating structure in the F+HCl reaction. The effects of initial state excitation on the total reaction probabilities as a function of collision energy were investigated. The rotational excitation led to an increase in the reaction probability at low collision energy. Thermal rate constants for the reactions are calculated.

Original languageEnglish (US)
Pages (from-to)10105-10113
Number of pages9
JournalJournal of Chemical Physics
Volume113
Issue number22
DOIs
StatePublished - Dec 8 2000

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions'. Together they form a unique fingerprint.

Cite this