Chemical Hardness [Paperback]

Chemical hardness  A historical introduction.- Density functional theory of chemical hardness.- Hardness and softness in density functional theory.- Hardness indices for free and bonded atoms.- The ground-state energy of atomic and molecular ions and its variation with the number of electrons.- Isoelectronic changes in energy, electronegativity, and hardness in atoms via the calculations of TANO.- Charge capacities and shell structures of atoms.- The hardness based molecular charge sensitivities and their use in the theory of chemical reactivity.- The EEM approach to chemical hardness in molecules and solids: Fundamentals and applications.- Hardness of metallic clusters.Springer Book ArchivesDE