A DFT study on the metal ion selectivity of deferiprone complexes
Sadegh Kaviani, Mohammad Izadyar, Mohammad Reza Housaindokht
Topics & Concepts
ChemistryNatural bond orbitalAtoms in moleculesDensity functional theoryCovalent bondDeferiproneMetalIonMetal ions in aqueous solutionComputational chemistryMoleculeInteraction energyChelationCrystallographyInorganic chemistryOrganic chemistryChemical Reaction MechanismsDNA and Nucleic Acid ChemistryFree Radicals and Antioxidants