๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Theoretical Prediction on the Synthesis Reaction Pathway of N 6 ( C 2 h )

โœ Scribed by Wang, Li Jie; Warburton, Peter; Mezey, Paul G.


Book ID
126118316
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
94 KB
Volume
106
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Theoretical study on the rate constants
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– 107 KB ๐Ÿ‘ 1 views

## Abstract The reaction C~2~H~5~ + HBr โ†’ C~2~H~6~ + Br has been theoretically studied over the temperature range from 200 to 1400 K. The electronic structure information is calculated at the BHLYP/6โ€311+G(d,p) and QCISD/6โ€31+G(d) levels. With the aid of intrinsic reaction coordinate theory, the mi

Theoretical studies of the radical react
โœ Shogo Sakai; Mark S. Gordon ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 351 KB

Ab initio molecular orbltal calculations on the transitton states and barrter heights for the addition of atomtc hydrogen to sllaethylene are carried out. The activation energy for the addition to the silicon site is lower than that to the carbon site, wlnle the exothermicity 1s smaller.