- Abstract:
-
Quantum scattering calculations are reported for the reactions OH+HC1→H2O+Cl and OH+HBr→H2O+Br. The rotating bond approximation is used. This involves the explicit treatment of the bending vibration and local OH stretching vibration in H2O together with the vibration of HX (X=Cl,Br) and rotation of OH. Simple potential energy surfaces for the reactions are used which contain an accurate potential for H 2O. The transition state of the potential for the OH+HCl reaction agrees quite well with ab...
Expand abstract - Publication status:
- Published
- Publisher copy:
- 10.1063/1.468467
-
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- Journal:
- JOURNAL OF CHEMICAL PHYSICS
- Volume:
- 101
- Issue:
- 5
- Pages:
- 3704-3714
- Publication date:
- 1994-09-01
- DOI:
- ISSN:
-
0021-9606
- URN:
-
uuid:018e354b-8bb3-48dc-87f3-0a6be9dee169
- Source identifiers:
-
52997
- Local pid:
- pubs:52997
- Language:
- English
- Copyright date:
- 1994
Journal article
MODE-SELECTIVE CHEMISTRY IN THE REACTIONS OF OH WITH HBR AND HCL
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