The dual-level direct kinetics method has been used to investigate the multichannel reactions of C(2)H(5)I + Cl. Three hydrogen abstraction channels and one displacement process are found for the title reaction. The calculation indicates that the hydrogen abstraction from -CH(2)- group is the domina
Studies on the Reaction Kinetics and Mechanism of
โ Scribed by N. Kumaraguru; K. Santhakumar
- Publisher
- Springer US
- Year
- 2009
- Tongue
- English
- Weight
- 654 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0095-9782
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract The reaction of a F atom with an NCO radical was studied at 6โ311+g\* level, using DFT methods. All geometries, vibrational frequencies, and energies of different stationary points were calculated by HF, UMP2, and DFT methods, and the results agreed with the experimental values. The vib
## Abstract The kinetics and mechanisms of the HCO reactions with HONO and HNOH have been studied at the G2M level of theory based on the geometric parameters optimized at BH&HLYP/6โ311G(d,p). The rate constants in the temperature range 200โ3000 K at different pressures have been predicted by micro
PIE soo13-4686(%)00272-1