Methanol, being a polar solvent, can interact with CV via electrostatic interactions. Due to the solvent polarity, it is assumed that CV and its counterion exist in a fully solvated form in methanol, 2,5 and that solvent molecules prevent the direct interaction of CV and its counterion due to screening effects. To investigate the influence of the Cl -on the lineshape, a 36 ps QM/MM trajectory of CV together with a chloride ion in methanol was collected, on the basis of which an absorption spectrum was computed using the cumulant approach calculated (see Fig. for the resulting spectrum). Analyzing the counterion position with respect to CV during the simulation (see Fig. ) and Fig. ), we find that, after an initial equilibration time, the ion is mostly screened by the solvent environment, minimizing electrostatic interactions with CV.