The multiple channel reaction H + CH(3)CH(2)Cl --> products has been studied by the ab initio direct dynamics method. The potential energy surface information is calculated at the MP2/6-311G(d,p) level of theory. The energies along the minimum energy path are further improved by single-point energy
✦ LIBER ✦
Reaction of carbon atoms with H2Cl+: an ab initio study of a possible interstellar process
✍ Scribed by Victor M. Rayón; Carmen Barrientos; Antonio Largo
- Book ID
- 113258830
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 976 KB
- Volume
- 363
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Ab initio direct dynamics studies on the
✍
Li Sheng; Ze-Sheng Li; Jing-Yao Liu; Jing-Fa Xiao; Chia-Chung Sun
📂
Article
📅
2003
🏛
John Wiley and Sons
🌐
English
⚖ 240 KB
👁 2 views
Ab initio studies on photochemical react
✍
Wei-Hai Fang
📂
Article
📅
1996
🏛
Elsevier Science
🌐
English
⚖ 581 KB
Ab Initio Dynamic Study of the Reaction
✍
Raynaud, Christophe; Daudey, Jean-Pierre; Jolibois, Franck; Maron, Laurent
📂
Article
📅
2006
🏛
American Chemical Society
🌐
English
⚖ 124 KB
An ab initio study of the Cl(2P)+C2H6→C2
✍
Orlando Roberto-Neto; Francisco B.C. Machado
📂
Article
📅
2002
🏛
Elsevier Science
🌐
English
⚖ 156 KB
An ab initio study on the insertion reac
✍
Shengyu Feng; Dacheng Feng; Jihai Li
📂
Article
📅
2000
🏛
Elsevier Science
🌐
English
⚖ 88 KB
An ab initio chemical kinetic study on t
✍
R. S. Zhu; M. C. Lin
📂
Article
📅
2010
🏛
John Wiley and Sons
🌐
English
⚖ 278 KB
👁 1 views
## Abstract The mechanisms for reactions of H, HO, and Cl with HOClO~3~, important elementary processes in the early stages of the ammonium perchlorate (AP) combustion reaction, have been investigated at the CCSD(T)/6‐311+G(3df,2p)//PW91PW91/6‐311+G(3df) level of theory. The rate constants for the