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Calculations of BODIPY dyes in the ground and excited states using the M06-2X and PBE0 functionals
A number of fluorescent dyes based on BODIPY (4,4′-difluoro-4-bora-3a,4a-diaza-s-indacene) have been studied theoretically. This paper presents the results of calculations of these BODIPY dyes in their ground and excited states, performed using DFT and TD-DFT methods, respectively. The influences of...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Berlin Heidelberg
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5054050/ https://www.ncbi.nlm.nih.gov/pubmed/27714534 http://dx.doi.org/10.1007/s00894-016-3108-8 |