A quasiclassical trajectory study of bond specific chemistry in the reaction H+HOD→H2+OD, HD+OH

Kathleen Kudla, George C Schatz

Research output: Contribution to journalArticle

46 Citations (Scopus)

Abstract

We present a quasiclassical trajectory study of H+HOD(ν1, ν2, ν3) with an emphasis on how the reaction cross section and the branching between OH and OD products varies with the initial vibrational state of HOD and with relative translational energy. Comparison of the results for initial states (100) and (001) with recent measurements by Zare and co-workers, and for the 4νOH overtone with recent measurements by Crim and co-workers indicates good qualitative agreement.

Original languageEnglish
Pages (from-to)507-511
Number of pages5
JournalChemical Physics Letters
Volume193
Issue number6
DOIs
Publication statusPublished - Jun 12 1992

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Trajectories
trajectories
chemistry
vibrational states
harmonics
cross sections
products
energy

ASJC Scopus subject areas

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

Cite this

A quasiclassical trajectory study of bond specific chemistry in the reaction H+HOD→H2+OD, HD+OH. / Kudla, Kathleen; Schatz, George C.

In: Chemical Physics Letters, Vol. 193, No. 6, 12.06.1992, p. 507-511.

Research output: Contribution to journalArticle

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