Die photochemische Bildung des Chlorwasserstoffs - Dynamics of Cl + H2 ⇌ HCl + H on a new potential energy surface: The photosynthesis of hydrogen chloride revisited 100 years after Max Bodenstein

T. C. Allison, S. L. Mielke, D. W. Schwenke, G. G. Lynch, M. S. Gordon, D. G. Truhlar

Research output: Contribution to journalArticle

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Abstract

In this contribution, we present a preliminary account of our recent work on the Cl + H2 and Cl + D2 reactions, which includes a new potential energy surface, variational transition state theory and semiclassical tunneling calculations for both reactions and for other isotopomeric cases, and accurate quantum dynamical calculations of rate constants and state-to-state integral and differential cross sections.

Original languageEnglish (US)
Pages (from-to)111-124
Number of pages14
JournalSpringer Series in Chemical Physics
Volume61
StatePublished - Dec 1 1996

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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