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The hydration shell structure of Li+ investigated by Born–Oppenheimer ab initio QM/MM dynamics

Materials ScienceInorganic ChemistryEngineeringPhysicsLi-ion Battery MaterialsNatural SciencesLithium-ion BatteryComputational ChemistryQuantum ChemistryChemistryHydration Shell StructureAb-initio MethodIon Structure