𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Variational transition state theory study of the reactions Li + HF and Li + HCl on the BO potential energy surfaces

✍ Scribed by Yu-Wei Yang; Guan-Zhi Ju; Cong-Hao Deng


Book ID
112059014
Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
388 KB
Volume
9
Category
Article
ISSN
0256-7660

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Variational transition-state theory stud
✍ Li-Ping Ju; Ke-Li Han; AntΓ³nio J. C. Varandas πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 145 KB πŸ‘ 1 views

## Abstract We report variational transition‐state theory calculations for the OH + O~3~β†’ HO~2~ + O~2~ reaction based on the recently reported double many‐body expansion potential energy surface for ground‐state HO~4~ [Chem Phys Lett 2000, 331, 474]. The barrier height of 1.884 kcal mol^βˆ’1^ is comp