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Spectroscopic (FT–IR, FT–Raman, UV–Vis) analysis, conformational, HOMO-LUMO, NBO and NLO calculations on monomeric and dimeric structures of 4–pyridazinecarboxylic acid by HF and DFT methods

Dft MethodsNlo CalculationsMolecular SpectroscopyNatural SciencesSpectra-structure CorrelationComputational ChemistryDimeric StructuresQuantum ChemistryChemistryBiophysics