Figure displays the RDFs obtained for Cl -ChOH, Cl -LACOOH, and Cl -LAOH interactions, calculated using various levels of theory in this study (details are provided later in the text). The first-neighbour maxima of the RDFs obtained with AIMD calculations are located at 2.12 Å, 1.98 Å and 2.15 Å, respectively. The first two interactions exhibit significantly larger values for the first peak maxima: 10.7 and 11.5, respectively, whereas for the Cl -LAOH RDF is 5.1.