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Free radical scavenging mechanism of 1,3,4-oxadiazole derivatives: thermodynamics of O–H and N–H bond cleavage

The thermodynamics of free radical scavenge of 1,3,4-oxadiazole derivatives towards oxygen-centred free radicals were investigated by the density functional theory (DFT) method in the gas phase and aqueous solution. Three mechanisms of free radical scavenge namely, hydrogen atom transfer (HAT), sing...

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Detalles Bibliográficos
Autores principales:	Alisi, Ikechukwu Ogadimma, Uzairu, Adamu, Abechi, Stephen Eyije
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7114742/ https://www.ncbi.nlm.nih.gov/pubmed/32258501 http://dx.doi.org/10.1016/j.heliyon.2020.e03683

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