where q i and q j are the partial charges of atoms i and j, respectively, and r ij is the distance between them. For the LJ parameters, σ ij represents the distance at which the interaction potential between sites i and j reaches zero, while ϵ ij denotes the potential depth. The coefficient C ij 4 controls the strength of the cation-π interaction. In the above equation, the first term represents the Coulombic interaction, the second term is the 12-6 LJ potential, and the third term accounts for the ion-induced dipole interaction. Unless specified otherwise, the ϵ ij and σ ij are obtained from the geometric combination rules,