## Abstract This theoretical study was held with purpose to explore fragmentation and isomerization pathways of ethyltoluene radical cation. B3LYP level of theory with 6β31G(d) and 6β311++G(df,p) basis sets was used to calculate potential energy surface of __o__β, __m__β, and __p__βisomers. Singleβ
β¦ LIBER β¦
Theoretical study of the competitive decomposition and isomerization of 1-hexyl radical
β Scribed by Feng Wang; Dong Bo Cao; Gang Liu; Jie Ren; Yong Wang Li
- Publisher
- Springer
- Year
- 2009
- Tongue
- English
- Weight
- 602 KB
- Volume
- 126
- Category
- Article
- ISSN
- 1432-2234
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