The trend of the adsorption energies and the corresponding vdW and electrostatic contributions can be rationalized from the magnitudes of the dipoles and the polarizabilities. The validity of our results is also supported by the experimental melting and boiling points of the chlorinated methanes (both rising from CH 4 to CCl 4 , see Table and Figure ). If the non-existent permanent dipole moment of CCl 4 would be a significant factor in the series of guest-guest interactions from CCl 4 to CH 3 Cl, one would also expect to see a significant deviation from the trend of melting and boiling points. Such a significant deviation is however only observable for CH 4 which has neither a significant dispersion contribution nor a permanent dipole moment, confirming the validity of the simulation results.