Experimental and theoretical vibrational spectral Investigations, structural conformations, DFT estimations and docking studies of antibacterial drug Nitrilotriaceticacid
V. Gifty, V. Bena Jothy
Topics & Concepts
HyperpolarizabilityChemistryMoleculeComputational chemistryFukui functionDensity functional theoryNatural bond orbitalMulliken population analysisCharge densityBasis setChemical physicsPolarizabilityOrganic chemistryPhysicsElectrophileQuantum mechanicsCatalysisNonlinear Optical Materials ResearchSynthesis and biological activityStructural and Chemical Analysis of Organic and Inorganic Compounds