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 journalArticlepeer-review


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
Issue number12
StatePublished - Sep 22 2002

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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