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Quantum Chemical Study Aimed at Modeling Efficient Aza-BODIPY NIR Dyes: Molecular and Electronic Structure, Absorption, and Emission Spectra

A comprehensive study of the molecular structure of aza-BODIPY and its derivatives, obtained by introduction of one or more substituents, was carried out. We considered the changes in the characteristics of the electronic and geometric structure of the unsubstituted aza-BODIPY introducing the follow...

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Detalles Bibliográficos
Autores principales:	Pogonin, Alexander E., Shagurin, Artyom Y., Savenkova, Maria A., Telegin, Felix Yu., Marfin, Yuriy S., Vashurin, Arthur S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7698449/ https://www.ncbi.nlm.nih.gov/pubmed/33212835 http://dx.doi.org/10.3390/molecules25225361

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