๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Direct Ab Initio Dynamics Study on a Gas Phase Microsolvated S N 2 Reaction of F - (H 2 O) with CH 3 Cl

โœ Scribed by Tachikawa, Hiroto


Book ID
126301074
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
140 KB
Volume
104
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Ab initio direct dynamics studies on the
โœ Li Sheng; Ze-Sheng Li; Jing-Yao Liu; Jing-Fa Xiao; Chia-Chung Sun ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 240 KB ๐Ÿ‘ 2 views

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