First-principles study on the physical properties for various anticancer drugs using density functional theory (DFT)
Mohammed H. Mohammed, Falah H. Hanoon
Topics & Concepts
Density functional theoryMoleculeChemistryElectron affinity (data page)Ionization energyHOMO/LUMOComputational chemistryAtomic orbitalIonizationElectrophileElectronChemical physicsIonOrganic chemistryPhysicsQuantum mechanicsCatalysisNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesMolecular Junctions and Nanostructures