Supporting Information in PDF

Assessment of the performance of MP2 vs CCSD(T), Molecular Electrostatic Potential in Monomers, Relationship between change in dipole moment and one-electron oxidation potential, Choice of the basis set and intermolecular distance between monomers, Effect of stacking in benzene derivative-benzene complexes, Non-covalent Interactions in Planar vs Non-Planar Substituents, Intermolecular Distances, Tilt Angle and Twist in Benzene-Benzene Derivative Complexes, Distribution of the Positive Hole in Homogeneous Benzene Derivative-Benzene Derivative Complexes and Population Distribution