Investigation of Structures, QTAIM, RDG, ADMET, and docking properties of SASC compound using experimental and theoretical approach
Natte Kavitha, Munagala Alivelu
Topics & Concepts
Natural bond orbitalChemistryAtoms in moleculesComputational chemistryMoleculeDensity functional theoryHOMO/LUMOIntermolecular forceLipinski's rule of fiveChemical shiftPhysical chemistryOrganic chemistryBiochemistryIn silicoGeneNonlinear Optical Materials ResearchFree Radicals and AntioxidantsCrystallography and molecular interactions