Accurate quantum-mechanical calculation for O( 1 D)+DCl reaction

Shi Ying Lin, Ke Li Han, John Z.H. Zhang

Research output: Contribution to journalArticle

Abstract

An accurate time-dependent wavepacket calculation for the O(1D)+DCl reaction is carried out employing the BLRS potential energy surface (R. Schinke, J. Chem. Phys. 80 (1984) 5510). Apparent differences are found in the energy-dependence of reaction probability and the magnitude of rate constants between the title reaction and its isotopic O(1D)+HCl reaction. These differences are attributed mainly to the kinematic effect.

Original languageEnglish (US)
Pages (from-to)122-126
Number of pages5
JournalChemical Physics Letters
Volume324
Issue number1-3
DOIs
StatePublished - Jun 30 2000

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ASJC Scopus subject areas

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

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