A reduced dimension quantum reactive scattering study of OH + CO⇌H + CO2

George C Schatz, Jeff Dyck

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Abstract

We develop a two-degree of freedom model of OH+CO⇌H+CO2 based on a realistic potential surface. Trajectory and RRKM results for this model are similar to their full dimensional counterparts. Accurate quantum studies of the model show that quantum and nonstatistical effects play an important role in determining HOCO lifetimes.

Original languageEnglish
Pages (from-to)11-15
Number of pages5
JournalChemical Physics Letters
Volume188
Issue number1-2
DOIs
Publication statusPublished - Jan 3 1992

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

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