Spectral profiling, structural, molecular docking and ELF elucidation of bioactive molecule Benzoguanamine
G.P. Jeyanthi, C. Gnana Sambandam
Topics & Concepts
Natural bond orbitalChemistryAntibonding molecular orbitalHOMO/LUMOMoleculeMolecular orbitalComputational chemistryAtomic orbitalDocking (animal)Chemical physicsMolecular orbital diagramStereochemistryCrystallographyDensity functional theoryElectronMolecular orbital theoryOrganic chemistryMedicineQuantum mechanicsNursingPhysicsNonlinear Optical Materials ResearchComputational Drug Discovery MethodsFree Radicals and Antioxidants