Computational mechanistic study of the unimolecular dissociation of ethyl hydroperoxide and its bimolecular reactions with atmospheric species

A detailed computational study of the atmospheric reaction of the simplest Criegee intermediate CH(2)OO with methane has been performed using the density functional theory (DFT) method and high-level calculations. Solvation models were utilized to address the effect of water molecules on prominent r...

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Detalles Bibliográficos
Autores principales: Almatarneh, Mansour H., Alnajajrah, Asmaa, Altarawneh, Mohammednoor, Zhao, Yuming, Halim, Mohammad A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7490386/
https://www.ncbi.nlm.nih.gov/pubmed/32929159
http://dx.doi.org/10.1038/s41598-020-71881-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7490386/
https://www.ncbi.nlm.nih.gov/pubmed/32929159
http://dx.doi.org/10.1038/s41598-020-71881-3

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