## Abstract A direct ab initio dynamics method is used to investigate the hydrogen‐abstraction reaction CH~3~CHF~2~+Cl. One transition state is located for α‐H abstraction, and two are identified for β‐H abstraction. The potential‐energy surface (PES) is obtained at the G3(MP2)//MP2/6‐311G(d, p) le
Ab initio Mechanism Study on the Reaction of Chlorine Atom with Formic Acid
✍ Scribed by Yu Hai-Tao; Chi Yu-Juan; Fu Hong-Gang; Li Ze-Sheng; Sun Jia-Zhong
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 389 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0256-7660
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