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Conformational study, FT-IR, FT-Raman, solvent effect on UV–Vis, charge transfer and protein–ligand interactions of Methyl-2-pyrazinecarboxylate

K. Arulaabaranam, S. Muthu, G. Mani, Ahmad Irfan

2021Journal of Molecular Liquids57 citationsDOI

Topics & Concepts

Natural bond orbitalChemistryHOMO/LUMOConformational isomerismFukui functionMulliken population analysisMoleculeComputational chemistryDensity functional theoryLigand (biochemistry)Basis setMolecular dynamicsElectrophileOrganic chemistryBiochemistryReceptorCatalysisNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds
Conformational study, FT-IR, FT-Raman, solvent effect on UV–Vis, charge transfer and protein–ligand interactions of Methyl-2-pyrazinecarboxylate | Litcius