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Anabinitiostudy of the O(1D)+HCl reaction
- Source :
- The Journal of Chemical Physics. 105:2710-2718
- Publication Year :
- 1996
- Publisher :
- AIP Publishing, 1996.
-
Abstract
- The potential energy surface of the O(1D)+HCl reaction has been calculated at an ab initio level. The calculated values have been fitted using a bond‐order polynomial. On this potential energy surface quasiclassical trajectory calculations have been performed. These calculations reproduce most of the available experimental information better than the other existing potential energy surfaces.
Details
- ISSN :
- 10897690 and 00219606
- Volume :
- 105
- Database :
- OpenAIRE
- Journal :
- The Journal of Chemical Physics
- Accession number :
- edsair.doi...........c24744aa9e073d94c4e4441b6ce62e18
- Full Text :
- https://doi.org/10.1063/1.472159