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A Theoretical Study of Solvent Effects on the Structure and UV–vis Spectroscopy of 3-Hydroxyflavone (3-HF) and Some Simplified Molecular Models

[Image: see text] Solvent effects on the UV–vis spectra of 3-hydroxyflavone and other structurally related molecules (3-hydroxychromen-4-one, 3-hydroxy-4-pyrone, and 4-pyrone) have been studied by combining time-dependent density functional theory (TDDFT) and the polarizable continuum method (PCM)....

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Detalles Bibliográficos
Autores principales:	Colín, María Jesús, Aguilar, Manuel Ángel, Martín, M. Elena
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10249394/ https://www.ncbi.nlm.nih.gov/pubmed/37305262 http://dx.doi.org/10.1021/acsomega.3c01906

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