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
β¦ LIBER β¦
Theoretical Study on the Mechanism of the CH + CH 3 OH Reaction
β Scribed by Zhang, Xiu-bin; Liu, Jian-jun; Li, Ze-sheng; Liu, Jing-yao; Sun, Chia-chung
- Book ID
- 126424156
- Publisher
- American Chemical Society
- Year
- 2002
- Tongue
- English
- Weight
- 123 KB
- Volume
- 106
- Category
- Article
- ISSN
- 1089-5639
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