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A conceptual DFT study of the molecular properties of glycating carbonyl compounds

Several glycating carbonyl compounds have been studied by resorting to the latest Minnesota family of density functional with the objective of determinating their molecular properties. In particular, the chemical reactivity descriptors that arise from conceptual density functional theory and chemica...

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Detalles Bibliográficos
Autores principales: Frau, Juan, Glossman-Mitnik, Daniel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5256638/
https://www.ncbi.nlm.nih.gov/pubmed/28123450
http://dx.doi.org/10.1186/s13065-017-0239-7