Computational Analysis of Salicylic Acid Oxidation: Byproducts and Reaction Pathways

This study used density functional theory to study the reaction pathways and intermediates associated with the oxidation of salicylic acid (SA). The analysis was carried out for each of the three SA charge states (i.e., 0, −1, −2) that are observed in aqueous solution. SA can be oxidized to the thre...

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Autors principals:	Schober, Jaya Das, Harper, Willie F., Jr.
Format:	text
Publicat:	AFIT Scholar 2026
Matèries:	#afcec Salicylic acid Oxidation Environmental Chemistry Water Resource Management
Accés en línia:	https://scholar.afit.edu/facpub/2896
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