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Can Expanded Bacteriochlorins Act as Photosensitizers in Photodynamic Therapy? Good News from Density Functional Theory Computations

The main photophysical properties of a series of expanded bacteriochlorins, recently synthetized, have been investigated by means of DFT and TD-DFT methods. Absorption spectra computed with different exchange-correlation functionals, B3LYP, M06 and ωB97XD, have been compared with the experimental on...

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Detalles Bibliográficos
Autores principales:	Mazzone, Gloria, Alberto, Marta E., De Simone, Bruna C., Marino, Tiziana, Russo, Nino
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2016
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273748/ https://www.ncbi.nlm.nih.gov/pubmed/26938516 http://dx.doi.org/10.3390/molecules21030288

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