Unimolecular Reaction Pathways of a γ‑Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods.

Ketohydroperoxides are important in liquid-phase autoxidation and in gas-phase partial oxidation and pre-ignition chemistry, but because of their low concentration, instability, and various analytical chemistry limitations, it has been challenging to experimentally determine their reactivity, and on...

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Publicado en:	Journal of the American Chemical Society Vol. 140; no. 3; pp. 1035 - 1049
Autores principales:	Grambow, Colin A., Jamal, Adeel, Yi-Pei Li, Green, William H., Zádor, Judit, Suleimanov, Yury V.
Formato:	Artículo
Publicado:	American Chemical Society 1/24/2018
Materias:	Intermediates (Chemistry) Organic synthesis Oxidation Unimolecular reactions Density functional theory Transition state theory (Chemistry) Hydroperoxides
Acceso en línea:	Ver este registro en EBSCOhost