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More Is Not Always Better: Local Models Provide Accurate Predictions of Spectral Properties of Porphyrins

The development of new functional materials based on porphyrins requires fast and accurate prediction of their spectral properties. The available models in the literature for absorption wavelength and extinction coefficient of the Soret band have low accuracy for this class of compounds. We collecte...

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Detalles Bibliográficos
Autores principales:	Rusanov, Aleksey I., Dmitrieva, Olga A., Mamardashvili, Nugzar Zh., Tetko, Igor V.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8835262/ https://www.ncbi.nlm.nih.gov/pubmed/35163123 http://dx.doi.org/10.3390/ijms23031201

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