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

Wan Yong Ma, Ke Li Han, John 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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Wave packets
wave packets
Rate constants
Rotors
rotors
propagation
cross sections
Hot Temperature

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Time-dependent quantum wave packet study of the H+DCN→HD+CN reaction. / Ma, Wan Yong; Han, Ke Li; Zhang, John.

In: Journal of Chemical Physics, Vol. 117, No. 12, 22.09.2002, p. 5642-5646.

Research output: Contribution to journalArticle

Ma, Wan Yong ; Han, Ke Li ; Zhang, John. / Time-dependent quantum wave packet study of the H+DCN→HD+CN reaction. In: Journal of Chemical Physics. 2002 ; Vol. 117, No. 12. pp. 5642-5646.
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