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 language | English (US) |
|---|---|
| Pages (from-to) | 370-373 |
| Number of pages | 4 |
| Journal | Chemical Physics Letters |
| Volume | 232 |
| Issue number | 4 |
| DOIs | |
| State | Published - Jan 20 1995 |
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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 journal › Article
}
TY - JOUR
T1 - Accurate time-dependent quantum scattering calculation for diatom-diatom reaction with branching
T2 - HD + OH → H + DOH, D + HOH
AU - Zhang, Dong H.
AU - Zhang, John
PY - 1995/1/20
Y1 - 1995/1/20
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=5244300508&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=5244300508&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(94)01359-4
DO - 10.1016/0009-2614(94)01359-4
M3 - Article
VL - 232
SP - 370
EP - 373
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4
ER -