Experimental spectroscopic and quantum computational analysis of pyridine-2,6-dicarboxalic acid with molecular docking studies
Neha Agarwal, Indresh Verma, Nazia Siddiqui, Saleem Javed
Topics & Concepts
ChemistryFukui functionNatural bond orbitalDensity functional theoryMoleculeComputational chemistryHOMO/LUMOBasis setAtoms in moleculesRaman spectroscopyPhysical chemistryElectrophileOrganic chemistryOpticsPhysicsCatalysisNonlinear Optical Materials ResearchSynthesis and Characterization of Heterocyclic CompoundsFree Radicals and Antioxidants