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Density functional theory based molecular dynamics study on hydrogen storage capacity of C24, B12N12, Al12 N12, Be12O12, Mg12O12, and Zn12O12 nanocages

Materials ScienceEngineeringPhysicochemical AnalysisHydrogen TransitionNatural SciencesEnergy StoragePhysical ChemistryComputational ChemistryQuantum ChemistryChemistryHydrogenHydrogen Storage CapacityMolecular Dynamics