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Ab initio study of H, B, C, N, O, and self-interstitial atoms in hcp-Zr

EngineeringPhysicsNatural SciencesChemical BondHydrogen BondAtomic PhysicsAb Initio StudyComputational ChemistryChemistryHydrogenQuantum ChemistryAb-initio MethodSelf-interstitial Atoms