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Structure and Bonding : Structure and Bonding - Kali D. Sen

Structure and Bonding

By: Kali D. Sen (Editor), Christian K. Jorgensen (Editor), Julio A. Alonso (Contribution by)

Paperback | 3 October 2013

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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.

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