Rate constants for the reactions of OH radicals and Cl atoms with CH,CH,NO>, CH,CH,CH,NO,, CH3CH2CH2CHzN02, and CH,CH2CH2CH,CH2N02 have been determined at 295+3 K and a total pressure of approximately 1 atm. The OH rate data were obtained using both the absolute rate technique of pulse radiolysis co
Collision-theory calculations for reactions of atomic oxygen with OH, ClO, CH, NO2 and PH3
β Scribed by L.F. Phillips
- Book ID
- 107734888
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 490 KB
- Volume
- 165
- Category
- Article
- ISSN
- 0009-2614
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## Abstract The reaction mechanism of CF~3~CH~2~OH with OH is investigated theoretically and the rate constants are calculated by direct dynamics method. The potential energy surface (PES) information, which is necessary for dynamics calculation, is obtained at the B3LYP/6β311G (d, p) level. The si
## Abstract Rate coefficients for the reaction of the hydroxyl radical with CF~3~CH~2~CH~3~ (HFCβ263fb) were computed using __ab initio__ methods, viz. MP2, G3MP2, and G3B3 theories between 200 and 400 K. Structures of the reactants in the ground state (GS) and transition state (TS) were optimized