## Abstract Theoretical investigations are carried out on the multichannel reaction CHBr~2~Cl + Cl by means of direct dynamics methods. The minimum energy path (MEP) is obtained at the BH&HβLYP/6β311G(d,p) level, and energetic information is further refined at the CCSD(T)/6β311+G(2df,2p) (singleβpo
Mechanistic and dual-level direct dynamics studies on the reaction Cl
β Scribed by Xiu-Juan Jia; You-Jun Liu; Jing-Yu Sun; Yi-Zhen Tang; Hao Sun; Li-Zhu Hao; Rong-Shun Wang; Xiu-Mei Pan
- Publisher
- Springer
- Year
- 2009
- Tongue
- English
- Weight
- 414 KB
- Volume
- 124
- Category
- Article
- ISSN
- 1432-2234
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