Table . Total intersystem crossing and fluorescence rates for trans-resveratrol, cis-resveratrol, THP, and resveratrone in implicit and explicit solvents at 298 K. The explicit inclusion of hydrogen bonds between water and resveratrol derivatives through explicit solvation has a minor impact on the total ISC rates of THP and resveratrone. However, a dramatic effect is observed in trans-and cisresveratrol. For fluorescence rates, explicit solvation has a small but still significant impact. In the following, we will draw our main conclusions from the explicit solvation results.