Electronegativity, Softcover reprint of the original 1st ed. 1987 Structure and Bonding Series, Vol. 66
Langue : Anglais
Coordonnateurs : Sen Kali D., Jorgensen Christian K.
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.
Date de parution : 10-2013
Ouvrage de 198 p.
17x24.4 cm
Thèmes d’Electronegativity :
Mots-clés :
Atom; atoms; density; density functional theory; distribution; function
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