Ab initio calculations are used to examine the energetics for the reaction of FO radicals and H,O. Optimized geometries have been calculated for all reactants, transition states, and products at the unrestricted second-order Msller-Plesset perturbation level of theory. Both Msller-Plesset perturbati
β¦ LIBER β¦
Reaction of FO Radicals with CO: An ab Initio Study of the Reaction Mechanism
β Scribed by Su, Yi; Francisco, J. S.
- Book ID
- 125990676
- Publisher
- American Chemical Society
- Year
- 1997
- Tongue
- English
- Weight
- 137 KB
- Volume
- 101
- Category
- Article
- ISSN
- 1089-5639
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