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
โฆ LIBER โฆ
Theoretical investigation on mechanism for OH-initiated oxidation of CH2=C(CH3)CH2OH
โ Scribed by Weichao Zhang; Benni Du; Changjun Feng
- Publisher
- Springer
- Year
- 2009
- Tongue
- English
- Weight
- 921 KB
- Volume
- 125
- Category
- Article
- ISSN
- 1432-2234
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