Regarding the overpolarization of the chlorine, its influence was monitorized in the literature by analyzing the Cl -Cl RDF , reporting the underestimation of Cl -Cl distances as compared to AIMD values. Our AIMD simulations show quite a wide peak at around 600 pm for the Cl -Cl RDF (see Figure ), closer than related systems, as the ChCl:EG system by Alizadeh et al , which predict the maximum at around 770 pm. FF1 and FF2, on the contrary, predict this maximum at 500 pm aproximately, similar to ChCl:EG CMD simulations . Nevertheless, FF-based RDFs in our system predict a higher and narrower peak, suggesting that the H-bond network with Cl is stronger in this case. The overpolarization of the force field was corrected in the literature, by introducing the Tang-Toennis damping function to Cl , and in fact was seen to shift the maximum of the Cl -Cl RDF to around 700 ppm for ChCl:EG , reaching a better agreement with the corresponding AIMD data. This was done by applying the Tang-Toennis function to the previously -corrected force field. In our case, following an approach similar to that for FF2, we obtain a new set of values by fitting the first peaks of the RDFs from AIMD calculations (shown in green in Figure ), including this time the Tang-Toennies correction for Cl ions (see Table ). This modified version of the force field is named FF3 hereafter. It is noteworthy that this new set of values is rather similar to the ones obtained for interactions Cl -ChOH and Cl -LACOOH in FF2 and close to the 0.37 nm chosen in the original version of the force field, but changes significantly for the Cl -LAOH interaction, suggesting that it is the interaction most a↵ected by the charge-induced dipole contribution.