Role of (H(2)O)(n) (n = 1–2) in the Gas-Phase Reaction of Ethanol with Hydroxyl Radical: Mechanism, Kinetics, and Products

[Image: see text] The effect of water on the hydrogen abstraction mechanism and product branching ratio of CH(3)CH(2)OH + (•)OH reaction has been investigated at the CCSD(T)/aug-cc-pVTZ//BH&HLYP/aug-cc-pVTZ level of theory, coupled with the reaction kinetics calculations, implying the harmonic t...

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Detalles Bibliográficos
Autores principales: Xu, Li, Tsona, Narcisse T., Tang, Shanshan, Li, Junyao, Du, Lin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648320/
https://www.ncbi.nlm.nih.gov/pubmed/31459732
http://dx.doi.org/10.1021/acsomega.9b00145

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648320/
https://www.ncbi.nlm.nih.gov/pubmed/31459732
http://dx.doi.org/10.1021/acsomega.9b00145

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