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A DFT study on the mechanism of the sulfonic acid + alcohol esterification reaction

Four alternative mechanisms for the benzenesulfonic acid + methanol esterification reaction have been studied at the B3LYP/aug-cc-pVTZ level. The participation of a pentacoordinate sulfur intermediate (in either neutral or protonated form) can be disregarded according to energy considerations. Inste...

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Detalles Bibliográficos
Autor principal:	Salvatella, Luis
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9077688/ https://www.ncbi.nlm.nih.gov/pubmed/35542947 http://dx.doi.org/10.1039/c7ra09833b

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