where E elec is the electrostatic term that describes the classical Coulombic interaction of the occupied orbitals of one monomer with those of the other. The term E exc is attractive and denotes the contribution of the exact exchange energy between the orbitals of one monomer and the orbitals of the others, E rep is repulsive and is associated with the Pauli exclusion principle, and the terms E pol and E disp correspond to the terms of polarisation and dispersion, respectively. These calculations were carried out using GAMESS software (version 2018-R2). Numerical LMO-EDA values are collected in Table .