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Although Quantum Mechanical/Molecular Mechanics (QM/MM) methods are now routinely applied to the studies of chemical reactions in condensed phases and enzymatic reactions, they may confront technical difficulties when the reactive region is varying over time. For instance, when the solvent molecules are participating in the reaction, the exchange of water molecules between the QM and MM regions may occur on a time scale that is comparable to that of the reaction. Several adaptive QM/MM schemesdoi:10.26434/chemrxiv.12764726.v2 fatcat:bq5xcfvh7ngztnn2hk76wdiy3m