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Computational survey of humin formation from 5-(hydroxymethyl)furfural under basic conditions

A comprehensive reaction-path search for the oligomerization of 5-(hydroxymethyl)furfural (HMF) based on quantum chemical calculations was conducted to clarify the mechanism of humin formation in the oxidation of HMF to furan-2,5-dicarboxylic acid (FDCA), in which humin is a typical macromolecular b...

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Detalles Bibliográficos
Autores principales:	Tashiro, Keisuke, Kobayashi, Masato, Nakajima, Kiyotaka, Taketsugu, Tetsuya
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2023
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10230611/ https://www.ncbi.nlm.nih.gov/pubmed/37266499 http://dx.doi.org/10.1039/d3ra02870d

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