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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.
- Format: Pocket/Paperback
- ISBN: 9783662136157
- Språk: Engelska
- Antal sidor: 198
- Utgivningsdatum: 2013-10-03
- Förlag: Springer-Verlag Berlin and Heidelberg GmbH & Co. K