Figure 1.

a) 8-Hydroxypyrene-1,3,6-trisulfonic acid (HPTS or pyranine) and b) HPTS in aqueous solution: in the hybrid implicit/explicit solvation model, HPTS is treated at the quantum mechanical level (DFT and TD-DFT level of theory for the ground and excited states, respectively), while the remaining explicit solvent molecules are modeled by molecular mechanics.