Due to some technical problems when running GKS-EDA calculations, the energy decomposition analysis in for the systems in solution was calculated using the electron-density based energy partitioning scheme EDA-NCI at the wB97x-D/def2-tzvp level of theory. Solvent effects were included in the optimisation by means of a continuum method, the Solvation Model based on Density (SMD) approach in Gaussian16. The interaction energies are obtained as the sum of the energy terms expressed in eq. 4