Time-dependent quantum wave packet study of the H+DCN→HD+CN reaction

Wan Yong Ma, Ke Li Han, John Z.H. Zhang

Research output: Contribution to journalArticle

Abstract

Quantum dynamics studies for the H+DCN→HD+CN reaction were performed using the semirigid vibrating rotor (SVRT) model and time-dependent wave packet propagation technique. Initial state-selected total reaction probabilities as well as integral cross sections and thermal rate constants were computed. Overall, significant results were obtained.

Original languageEnglish (US)
Pages (from-to)5642-5646
Number of pages5
JournalJournal of Chemical Physics
Volume117
Issue number12
DOIs
StatePublished - Sep 22 2002

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ASJC Scopus subject areas

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

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