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Nonadiabatic molecular dynamics with solvent effects: A LR-TDDFT QM/MM study of ruthenium (II) tris (bipyridine) in water

EngineeringSolvent EffectsNatural SciencesNonadiabatic Molecular DynamicsHydrogen-bonded LiquidLr-tddft Qm/mm StudyComputational ChemistryQuantum ChemistryChemistryMolecular KineticsMolecular DynamicsBiophysics