Semi-Empirical Calculation of Bodipy Aggregate Spectroscopic Properties through Direct Sampling of Configurational Ensembles

Efficient prediction of the aggregation-induced callback of organic chromophores for utilization in molecular sensorics is a desirable development goal in modern computational chemistry. Dye aggregates are complicated to study when utilizing conventional quantum chemistry approaches, since they are...

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Detalles Bibliográficos
Autores principales: Usoltsev, Sergey, Shagurin, Artem, Marfin, Yuriy
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9502801/
https://www.ncbi.nlm.nih.gov/pubmed/36142865
http://dx.doi.org/10.3390/ijms231810955

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9502801/
https://www.ncbi.nlm.nih.gov/pubmed/36142865
http://dx.doi.org/10.3390/ijms231810955

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