Time-dependent quantum wave packet study of the C+CH reaction

Bi Yu Tang, Mao Du Chen, Ke Li Han, John Z.H. Zhang

Research output: Contribution to journalArticle

Abstract

The three-dimensional quantum wave packet method was used to study the reaction dynamics of C+CH reaction. The initial state-specific total reaction probabilities, integral cross section and rate constants were also calculated and found to be in good agreement with the experimental values. The probability curve implied that the reaction involved no resonance. A sharp decrease and a slight increase was observed in the calculated cross section with the increase of reagent kinetic energy. The C+CH reaction was shown to be strongly dependent on the attack angle distributions.

Original languageEnglish (US)
Pages (from-to)731-738
Number of pages8
JournalJournal of Chemical Physics
Volume115
Issue number2
DOIs
StatePublished - Jul 8 2001

ASJC Scopus subject areas

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

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