𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical mechanistic study on the radical-molecule reaction of CH2Br/CHBrCl with NO2

✍ Scribed by Xiu-Juan Jia; Xiu-Mei Pan; Jing-Yu Sun; Yi-Zhen Tang; Hao Sun; Ya-Ru Pan; Rong-Shun Wang


Publisher
Springer
Year
2008
Tongue
English
Weight
530 KB
Volume
122
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Theoretical mechanistic study on the rad
✍ Jia-Xu Zhang; Ze-Sheng Li; Jing-Yao Liu; Chia-Chung Sun 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 221 KB 👁 1 views

## Abstract The radical‐molecule reaction mechanism of CHCl~2~ and CCl~3~ with NO~2~ have been explored theoretically at the B3LYP/6‐311G(d,p) and MC‐QCISD (single‐point) levels. For the singlet potential energy surface (PES) of CHCl~2~ + NO~2~ reaction, the association of CHCl~2~ with NO~2~ was fo

Theoretical mechanistic study on the rad
✍ Jian Wang; Yi-Hong Ding; Chia-Chung Sun 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 424 KB

## Abstract The cyanomethylidyne (CCN) has been the long‐standing subject of extensive theoretical and experimental studies on its structures and spectroscopies. However, there are few investigations on its reactivity. Our very recent theoretical work indicated that even with the simplest methane,

Theoretical study on the mechanism of th
✍ Jian-Jun Liu; Yi-Hong Ding; Yu-Guo Tao; Ji-Kang Feng; Chia-Chung Sun 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 525 KB

## Abstract The complex doublet potential energy surface of the CH~2~NO~2~ system is investigated at the B3LYP/6‐31G(d,p) and QCISD(T)/6‐311G(d,p) (single‐point) levels to explore the possible reaction mechanism of the triplet CH~2~ radical with NO~2~. Forty minimum isomers and 92 transition states

Theoretical study on the mechanism of th
✍ Jia-Xu Zhang; Ze-Sheng Li; Jing-Yao Liu; Chia-Chung Sun 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 561 KB

## Abstract Despite the importance of the Fluoromethyl radicals in combustion chemistry, very little experimental information on their reactions toward stable molecules is available in the literature. Motivated by recent laboratory characterization about the reaction kinetics of Chloromethyl radica