The TDDFT Excitation Energies of the BODIPYs; The DFT and TDDFT Challenge Continues
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DOI: 10.3390/molecules26061780
Abstract: 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… read more here.
Keywords: dft tddft; excitation energies; tddft excitation; energies bodipys ... See more keywords