The TDDFT Excitation Energies of the BODIPYs; The DFT and TDDFT Challenge Continues

The derivatives of 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) are pivotal ingredients for a large number of functional, stimuli-responsive materials and therapeutic molecules based on their photophysical properties, and there is a urgent need to understand and predict their optical traits p...

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Detalles Bibliográficos
Autores principales: Schlachter, Adrien, Fleury, Alexandre, Tanner, Kevin, Soldera, Armand, Habermeyer, Benoit, Guilard, Roger, Harvey, Pierre D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8005089/
https://www.ncbi.nlm.nih.gov/pubmed/33810021
http://dx.doi.org/10.3390/molecules26061780

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8005089/
https://www.ncbi.nlm.nih.gov/pubmed/33810021
http://dx.doi.org/10.3390/molecules26061780

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