Accurate time-dependent quantum scattering calculation for diatom-diatom reaction with branching: HD + OH → H + DOH, D + HOH

Dong H. Zhang, John Zhang

Research output: Contribution to journalArticle

Abstract

We report calculation of reaction probabilities and branching ratios for the four-atom reaction HD + OH → H + DOH, D + OH2 on the modified Schatz-Elgersma potential energy surface using the time-dependent approach developed previously for studying H2 + OH reaction. The branching ratio PDOHP HOH is smaller than the one at low collision energies where hydrogen tunneling is dominant, but is greater than the one at high collision energies. The explanation for the isotope branching ratio is furnished.

Original languageEnglish (US)
Pages (from-to)370-373
Number of pages4
JournalChemical Physics Letters
Volume232
Issue number4
DOIs
StatePublished - Jan 20 1995

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Potential energy surfaces
algae
Isotopes
Hydrogen
Scattering
Atoms
scattering
collisions
isotopes
potential energy
energy
hydrogen
atoms

ASJC Scopus subject areas

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

Cite this

Accurate time-dependent quantum scattering calculation for diatom-diatom reaction with branching : HD + OH → H + DOH, D + HOH. / Zhang, Dong H.; Zhang, John.

In: Chemical Physics Letters, Vol. 232, No. 4, 20.01.1995, p. 370-373.

Research output: Contribution to journalArticle

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