We computed S1→Tm ISC rates for all triplet states m whose energy at the Tm minimum was smaller than the S1 minimum energy. The energies of each state at their respective optimized minima are listed in Table in the ESI. Figure shows the relative energies (in relation to the S0) of all excited states at their optimized geometries. Therefore, for trans-and cis-resveratrol, only ISC from S1→T1 was computed while for THP, we considered ISC from S1 to T1-T4 and for resveratrone, from S1 to T1 and T2. The relative energies of the compounds considering only the implicit solvent are presented in the ESI (Figure ). The calculated ISC rates in CPCM and explicit water are presented in Table .