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Benchmarking Density Functional Approximations for Excited-State Properties of Fluorescent Dyes

This study presents an extensive analysis of the predictive power of time-dependent density functional theory in determining the excited-state properties of two groups of important fluorescent dyes, difluoroboranes and hydroxyphenylimidazo[1,2-a]pyridine derivatives. To ensure statistically meaningf...

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Detalles Bibliográficos
Autores principales:	Grabarz, Anna M., Ośmiałowski, Borys
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8703901/ https://www.ncbi.nlm.nih.gov/pubmed/34946515 http://dx.doi.org/10.3390/molecules26247434

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