Cargando…
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...
| Autores principales: | , , , , |
|---|---|
| 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 |