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Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of l-Asparagine Monohydrate by Density Functional Theory approach

Td-dft AnalysisMolecular SpectroscopyPhysicochemical AnalysisSpectra-structure CorrelationNatural Bond OrbitalL-asparagine MonohydrateChemistryBiophysics