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PMF profiles for the symmetric SN2 reaction (ClCH3…Cl−) using the QM/MM-Ewald, QM/MM-Cutoff, QM/MM-IPS, and QM/MM-DSF methods with Rc = 12 Å. The free energy barrier height obtained by the QM/MM-DSF method deviates from that of QM/MM-Ewald by <0.1 kcal/mol.
