Kinetics of the Toluene Reaction with OH Radical

We calculated the kinetics of chemical activation reactions of toluene with hydroxyl radical in the temperature range from 213 K to 2500 K and the pressure range from 10 Torr to the high-pressure limit by using multistructural variational transition state theory with the small-curvature tunneling ap...

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Detalles Bibliográficos
Main Authors: Rui Ming Zhang, Donald G. Truhlar, Xuefei Xu
Formato: Artigo
Idioma:English
Publicado: American Association for the Advancement of Science (AAAS) 2019-01-01
Series:Research
Acceso en liña:http://dx.doi.org/10.34133/2019/5373785