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Ab initio study of the formation and degradation reactions of chlorinated phenols

The formation, stability, and reactivity of chlorinated phenoxyl radicials was studied using ab initio methods. All 19 congeners from mono- to penta-chlorinated species were considered. The radical species are formed in combustion reactions via unimolecular scission of the phenoxyl-hydrogen bond or...

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Detalles Bibliográficos
Publicado en:Theochem
Autores principales: McFerrin, Cheri A., Hall, Randall W., Dellinger, Barry
Formato: Artigo
Lenguaje:Inglês
Publicado: 2009
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC4273315/
https://ncbi.nlm.nih.gov/pubmed/25540469
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.theochem.2009.01.031
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