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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Vydáno v:Molecules
Hlavní autoři: Schlachter, Adrien, Fleury, Alexandre, Tanner, Kevin, Soldera, Armand, Habermeyer, Benoit, Guilard, Roger, Harvey, Pierre D.
Médium: Artigo
Jazyk:Inglês
Vydáno: MDPI 2021
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On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC8005089/
https://ncbi.nlm.nih.gov/pubmed/33810021
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules26061780
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