Time-dependent quantum dynamics study of the Cl+H2 reaction

Ben Hui Yang, Hong Tao Gao, Ke Li Han, John Z.H. Zhang

Research output: Contribution to journalArticlepeer-review

Abstract

Quantum dynamics studies for the Cl+H2 reaction system were carried out using a time-dependent wave packet approach. Initial state-selected total reaction probabilities for total angular momentum J were computed on the G3 and BW2 potential surfaces. A comparison of the computational results with the experimental ones showed good agreement.

Original languageEnglish (US)
Pages (from-to)1434-1440
Number of pages7
JournalJournal of Chemical Physics
Volume113
Issue number4
DOIs
StatePublished - Jul 2000

ASJC Scopus subject areas

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

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