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Single-crystal X-ray DiffractionDensity Functional TheorySingle Crystal X-Ray DiffractionCoordination PolymersMetal ComplexesCoordination ChemistryCrystal StructureMetal-Organic FrameworksRay CrystallographyRay Diffraction AnalysisPhotophysical PropertiesHydrogen StorageCoordination CompoundsHydrothermal SynthesisCopper ComplexesElectrochemical PerformanceRay StructureN-Heterocyclic CarbeneQuantum Theory of Atoms in MoleculesSpectroscopic Characterization