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Molecular electrostatic potential (MESP) isosurfaces (isovalue = 0.02 a.u.) for the relaxed ground (S0(solv, s0)) and excited states (S1(solv, s1)) of the 1,5-disubstituted anthracene dye structures in dioxane (blue color corresponds to +0.045. a.u. (ca. +120 kJ/mol) potential while red represents −0.045 a.u. (ca. −120 kJ/mol)).
