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Toward accurate solvation dynamics of lanthanides and actinides in water using polarizable force fields: from gas-phase energetics to hydration free energies

Polarizable Force FieldsEngineeringPhysicochemical AnalysisGas-phase EnergeticsNatural SciencesHydrogen-bonded LiquidPhysical ChemistryComputational ChemistryMolecular MechanicQuantum ChemistryChemistryFree EnergiesBiophysicsSolution (Chemistry)