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TheoReTS – An information system for theoretical spectra based on variational predictions from molecular potential energy and dipole moment surfaces

Molecular SpectroscopyEngineeringPhysicsNatural SciencesSpectroscopyMolecular PropertySpectra-structure CorrelationPhysical ChemistryInformation SystemComputational ChemistryQuantum ChemistryEnergy MinimizationMolecular Potential EnergyBiophysicsTheoretical Spectra