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Mode specificity in the HF + OH → F + H2O reaction.
- Source :
-
Journal of Chemical Physics . 10/28/2014, Vol. 141 Issue 16, p1-7. 7p. 1 Diagram, 1 Chart, 5 Graphs. - Publication Year :
- 2014
-
Abstract
- Full-dimensional quantum dynamics and quasi-classical trajectory calculations are reported for the title reaction on a recently constructed ab initio based global potential energy surface. Strong mode specificity was found, consistent with the prediction of the sudden vector projection model. Specifically, the HF vibration strongly promotes the reaction while the OH vibration has little effect. Rotational excitations of both reactants slightly enhance the reaction. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 141
- Issue :
- 16
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 99235428
- Full Text :
- https://doi.org/10.1063/1.4900445