Solvent effect on molecular, electronic parameters, topological analysis and Fukui function evaluation with biological studies of imidazo [1, 2-a] pyridine-8-carboxylic acid
S. Selvakumari, Krishna Murthy Potla, D. Shanthi, Ahmad Irfan, S. Muthu
Topics & Concepts
ChemistryNatural bond orbitalFukui functionDensity functional theoryComputational chemistryMolecular orbitalMoleculeSolvationDocking (animal)PyridineTopology (electrical circuits)ElectrophileOrganic chemistryNursingCombinatoricsMedicineMathematicsCatalysisSynthesis and biological activityComputational Drug Discovery MethodsNonlinear Optical Materials Research