The detailed potential energy surface for the key atmospheric reaction of OH with CH 2 @CHCH(OH)CH 3 (3-buten-2-ol) has been investigated at the CCSD(T)/6-311++G(d,p)//MP2(full)/6-311++G(d,p) level. Various possible H-abstraction and addition-elimination pathways are identified. It is predicted that
Theoretical study on the mechanism for the reaction of F with CH2CHCH2Cl
β Scribed by Yunju Zhang; Jingyu Sun; Kai Chao; Fang Wang; ShuWei Tang; Xiumei Pan; Jingping Zhang; Hao Sun; Rongshun Wang
- Book ID
- 116380035
- Publisher
- Elsevier
- Year
- 2012
- Tongue
- English
- Weight
- 630 KB
- Volume
- 981
- Category
- Article
- ISSN
- 2210-271X
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