Computational Study on the Kinetics and Mechanism of the Carbaryl + OH Reaction
β Scribed by Zavala-Oseguera, Claudia; Galano, Annia; Merino, Gabriel
- Book ID
- 127363199
- Publisher
- American Chemical Society
- Year
- 2014
- Tongue
- English
- Weight
- 839 KB
- Volume
- 118
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
The rate constant k , for the reaction of OH radicals with C102 molecules was measured in a discharge flow system over the temperature range 293 5 T < 473 K and at low pressures, 0.5 5 P 5 1.4 torr, using electron paramagnetic resonance or laser-induced fluorescence to monitor the pseudo first-order
## Abstract The reactants, products, and transition states of the CH~2~O + NO~2~ reaction on the ground electronic potential energy surface have been searched at both B3LYP/6β311+G(d,p) and MPW1PW91/6β311+G(3df,2p) levels of theory. The forward and reverse barriers are further improved by a modifie
## Abstract The kinetics and mechanism of the following reactions have been studied in the temperature range 230β360 K and at total pressure of 1 Torr of helium, using the dischargeβflow mass spectrometric method: 1a: 1b: The following Arrhenius expression for the total rate constant was obtaine