Ab initio calculations at the Hartree-Fock, MP2 and MP4 levels were performed to find structures of the equilibrium and transition states and the reaction energies and energies of activation of several competing reaction pathways of O (3P)+CH3SH. A 6-31G\* basis set was used in all calculations. The
✦ LIBER ✦
Potential Energy Surface for the Chlorine Atom Reaction with Ethylene: A Theoretical Study
✍ Scribed by Braña, P.; Menéndez, B.; Fernández, T.; Sordo, J. A.
- Book ID
- 126973787
- Publisher
- American Chemical Society
- Year
- 2000
- Tongue
- English
- Weight
- 245 KB
- Volume
- 104
- Category
- Article
- ISSN
- 1089-5639
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