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Lennard-Jones interactions compared with corresponding mapped parameter QXD interactions. Shown are various atom-atom (X–O; X = O, P, S, C) interactions for both traditional Lennard-Jones and QXD models, with QXD charge-independent parameters generated from the interfacing equations which allow for on-the-fly conversion of LJ interactions into a form which can be used with the new QXD charge-dependent interaction model.
