The mechanism and kinetics of the HCO + HONO → HCHO + N[O.sub.2] reaction--a DFT study

Authors :: Sun, Xiaomin
Cai, Zhengting
Feng, Dachang
Bian, Wenshang
Qiao, Qing'an
Wang, Wenxing
Source :: Canadian Journal of Chemistry. July-August, 2007, Vol. 85 Issue 7-8, p453, 8 p.
Publication Year :: 2007
Abstract: Abstract: The hydrogen-transfer reaction of HCO + HN[O.sub.2] → HCHO + N[O.sub.2] has been studied using both the density function theory (DFT) and high-level ab initio method. Three complete reaction [...]

Subjects :: Transition state (Chemistry) -- Analysis -- Usage
Density functionals -- Usage -- Analysis
Chemical reaction, Rate of -- Analysis -- Usage
Chemical reactions -- Analysis -- Usage
Chemistry
Usage
Analysis

Tools