Estimation of atomic and group electronegativities.- Absolute electronegativities as determined from Kohn-Sham theory.- Simple density functional theory of the electronegativity and other related properties of atoms and ions.- Fukui function, electronegativity and hardness in the Kohn-Sham theory.- Electronegativity of atoms and molecular fragments.- Electronegativity equalization and its applications.- Electronegativity and charge distribution.
Inhaltsverzeichnis
Estimation of atomic and group electronegativities. - Absolute electronegativities as determined from Kohn-Sham theory. - Simple density functional theory of the electronegativity and other related properties of atoms and ions. - Fukui function, electronegativity and hardness in the Kohn-Sham theory. - Electronegativity of atoms and molecular fragments. - Electronegativity equalization and its applications. - Electronegativity and charge distribution.
