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Quantum chemical predictions of the vibrational spectra of polyatomic molecules.

Excited State PropertyVibronic InteractionEngineeringPhysicsNatural SciencesSpectroscopyQuantum Chemical PredictionsMolecular PropertySpectra-structure CorrelationPhysical ChemistryComputational ChemistryQuantum ChemistryChemistryMolecular PhysicsMolecular Spectroscopy