Theoretical study on the reactions of CF/CCl with O2
β Scribed by Congyun Shi; Yanfei Zhou; Guanghui Wang; Sufan Wang
- Book ID
- 108285952
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 481 KB
- Volume
- 905
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract The radicalβmolecule reaction mechanism of CHCl~2~ and CCl~3~ with NO~2~ have been explored theoretically at the B3LYP/6β311G(d,p) and MCβQCISD (singleβpoint) levels. For the singlet potential energy surface (PES) of CHCl~2~ + NO~2~ reaction, the association of CHCl~2~ with NO~2~ was fo
A relative rate approach has , been used to measure the reactivity of CF,O radicals towards ozone. Using k(CFaO+NOa)=2,7x IO-" cm' molecule-' s-' as the referencereactioqanupperlimit ofk(CF,O+Os) 63~ 10-'4cmSmolecule-' was determined at 295 K and 700 Torr of O2 diluent. The implications for the atmo