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Theoretical Investigation on the Mechanism and Thermal Rate Constants for the Reaction of Atomic O ( 3 P) with CHF 2 Cl

✍ Scribed by Zhang, Qingzhu; Gu, Yueshu; Wang, Shaokun

Book ID
126053954
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
104 KB
Volume
107
Category
Article
ISSN
1089-5639

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πŸ“œ SIMILAR VOLUMES

The rate constant for the reaction of O(
The rate constant for the reaction of O(3P) atoms with ClONO2
✍ Luisa Tan Molina; John E. Spencer; Mario J. Molina πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 497 KB

The O(3P) + CION reaction has been studicd in a fast flow system over the temperature range from 213 to 295 K, using the air-aftereIow technique for the detection of oxygen atoms under pseudo first order conditions. A value of (3.4 z 0.6) x 10-" exp[(-840 + 60)/T] cm3 molecule-' s-' has been obtaine

Rate constants for the reaction of O(3P)
Rate constants for the reaction of O(3P) atoms with CH2 = CHF, CH2 = CHCl, and CH2 = CHBr at 298 Β± 2Β°K
✍ R. Atkinson; J. N. Pitts JR. πŸ“‚ Article πŸ“… 1976 πŸ› John Wiley and Sons 🌐 English βš– 298 KB πŸ‘ 1 views

Absolute rate constants for the reaction of O(3P) atoms with CHI = CHF, CH2 = CHC1, and CH2 = CHBr have been obtained at 298 f 2Β°K using a modulation phase shift technique. The rate constants ( k z X lo-\* l./mole.sec) obtained are: CH2 = CHF (1.61 =t 0.20), CH2 = CHCl (2.54 + 0.26), and CHZ = CHBr

Absolute rate constants for the reaction
Absolute rate constants for the reactions O(3P) atoms with HCl and HBr
✍ Raymond D. H. Brown; Ian W. M. Smith πŸ“‚ Article πŸ“… 1975 πŸ› John Wiley and Sons 🌐 English βš– 728 KB

## Abstract A flow tube method has been used to determine rate constants for the elementary reactions: equation image Oxygen atoms were produced by adding a small excess of NO to a stream of partially dissociated nitrogen, and their reaction with hydrogen halide was monitored by observing the int

Absolute rate constants for the reaction
Absolute rate constants for the reactions of O(3P) atoms with DCl and DBr
✍ Raymond D. H. Brown; Ian W. M. Smith πŸ“‚ Article πŸ“… 1978 πŸ› John Wiley and Sons 🌐 English βš– 680 KB

## Abstract Earlier work on the reactions of O(^3^P) atoms with HCl and HBr has been extended by measuring rate constants for equation image A flow‐tube method was used with chemiluminescent monitoring of the removal of atomic oxygen. Rate constants were measured at temperatures between 340 and 4

Direct ab initio dynamics calculations o
Direct ab initio dynamics calculations of the rate constants for the reaction of CHF2CF2OCH3 with Cl
✍ Lei Yang; Hong-Qing He; Yue-Meng Ji; Jing-Yao Liu; Ze-Sheng Li πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 401 KB πŸ‘ 1 views

## Abstract A dual‐level direct dynamics method is employed to reveal the dynamical properties of the reaction of CHF~2~CF~2~OCH~3~ (HFE‐254pc) with Cl atoms. The optimized geometries and frequencies of the stationary points and the minimum energy path (MEP) are calculated at the B3LYP/6‐311G(d,p)