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Density functional-based prediction of the electronic, structural, and vibrational properties of the energetic molecule: octanitrocubane

Energetic MoleculeEngineeringPhysicsTheoretical Inorganic ChemistryNatural SciencesDensity Functional-based PredictionSpectra-structure CorrelationPhysical ChemistryComputational ChemistryVibrational PropertiesQuantum ChemistryChemistryBiophysics