Quantum dynamics of the photoinitiated unimolecular dissociation of HOCO

Hua Gen Yu, James Muckerman

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

A simulation of the photoinitiated unimolecular dissociation of the trans-HOCO conformer in the vOH=3 overtone. Thus, the dynamics calculation was performed using a time-dependent wave packet propagation approach and a four-dimensional planar model. The results show that the OH+CO products were the dominant product channel despite the H+CO2 channel being energetically preferable.

Original languageEnglish
Pages (from-to)11139-11145
Number of pages7
JournalJournal of Chemical Physics
Volume117
Issue number24
DOIs
Publication statusPublished - Dec 22 2002

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Wave packets
Carbon Monoxide
dissociation
products
wave packets
harmonics
propagation
simulation

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Quantum dynamics of the photoinitiated unimolecular dissociation of HOCO. / Yu, Hua Gen; Muckerman, James.

In: Journal of Chemical Physics, Vol. 117, No. 24, 22.12.2002, p. 11139-11145.

Research output: Contribution to journalArticle

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