Abstract
The quasiclassical trajectory method was used to determine product energy disposal, vibrational state populations and angular distributions for the OH+D2→HOD+D reaction with WSLFH and OC potential energy surfaces (PES). Angular distributions and the trends with increasing translational energy and vibrationally exciting reagents were also presented. It was shown that both surfaces satisfactorily reproduces the measured average fraction of energy and HOD vibrational distributions.
| Original language | English |
|---|---|
| Pages (from-to) | 5160-5169 |
| Number of pages | 10 |
| Journal | Journal of Chemical Physics |
| Volume | 115 |
| Issue number | 11 |
| DOIs | |
| Publication status | Published - Sep 15 2001 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
Cite this
A quasiclassical trajectory study of product energy and angular distributions for the OH+D2 reaction. / Lakin, Matthew J.; Troya, Diego; Lendvay, György; González, Miguel; Schatz, George C.
In: Journal of Chemical Physics, Vol. 115, No. 11, 15.09.2001, p. 5160-5169.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - A quasiclassical trajectory study of product energy and angular distributions for the OH+D2 reaction
AU - Lakin, Matthew J.
AU - Troya, Diego
AU - Lendvay, György
AU - González, Miguel
AU - Schatz, George C
PY - 2001/9/15
Y1 - 2001/9/15
N2 - The quasiclassical trajectory method was used to determine product energy disposal, vibrational state populations and angular distributions for the OH+D2→HOD+D reaction with WSLFH and OC potential energy surfaces (PES). Angular distributions and the trends with increasing translational energy and vibrationally exciting reagents were also presented. It was shown that both surfaces satisfactorily reproduces the measured average fraction of energy and HOD vibrational distributions.
AB - The quasiclassical trajectory method was used to determine product energy disposal, vibrational state populations and angular distributions for the OH+D2→HOD+D reaction with WSLFH and OC potential energy surfaces (PES). Angular distributions and the trends with increasing translational energy and vibrationally exciting reagents were also presented. It was shown that both surfaces satisfactorily reproduces the measured average fraction of energy and HOD vibrational distributions.
UR - http://www.scopus.com/inward/record.url?scp=0035883646&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0035883646&partnerID=8YFLogxK
U2 - 10.1063/1.1394218
DO - 10.1063/1.1394218
M3 - Article
VL - 115
SP - 5160
EP - 5169
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 11
ER -