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Comparison between TD-DFT and experimental 0–0 energies (eV) for a set of 58 BODIPY derivatives built from the data of refs (49, 51, and 52). All TD-DFT calculations have been performed at the SS-PCM-TD-M06-2X/6-311+G(2d,p)//PCM-M06-2X/6-31G(d) level. The impact of an SOS-CIS(D) vertical correction is also illustrated. The central line indicates a perfect match between theory and experiment.
