Quantum computational, spectroscopic investigations on ampyra (4-aminopyridine) by dft/td-dft with different solvents and molecular docking studies
Nazia Siddiqui, Saleem Javed
Topics & Concepts
ChemistryFukui functionDensity functional theoryNatural bond orbitalComputational chemistryMoleculeHOMO/LUMOTime-dependent density functional theoryBasis setElectrophileOrganic chemistryCatalysisNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesProtein Interaction Studies and Fluorescence Analysis