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Simulation of IR and Raman spectra based on scaled DFT force fields: a case study of 2-(methylthio)benzonitrile, with emphasis on band assignment

Band AssignmentEngineeringPhysicsNatural SciencesSpectroscopyApplied PhysicsCase StudyPhysical ChemistryComputational ChemistryChemistryQuantum ChemistryOptical SpectroscopySpectroscopic PropertySpectra-structure CorrelationSpectroscopic Method