## Abstract Radical reactions: The groundβstate potential energy surface of the C~2~H~5~O system is investigated by ab initio methods using optimized geometries. The rate constants for the unimolecular isomerization and decomposition reactions of the three isomeric radicals (see picture) are calcul
Ab initio chemical kinetics for the reactions of N2 with singlet and triplet C2O radicals
β Scribed by R.S. Zhu; S.C. Xu; M.C. Lin
- Book ID
- 108109075
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 368 KB
- Volume
- 488
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract The kinetics and mechanism for the reaction of NH~2~ with HONO~2~ have been investigated by ab initio calculations with rate constant prediction. The potential energy surface of this reaction has been computed by singleβpoint calculations at the CCSD(T)/6β311+G(__3df__, __2p__) level ba
## Abstract The kinetics and mechanism for the reaction of NH~2~ with HONO have been investigated by ab initio calculations with rate constant prediction. The potential energy surface of this reaction has been computed by singleβpoint calculations at the CCSD(T)/6β311+G(__3df__, 2__p__) level based