Electronegativity in density functional theory: diatomic bond energies and hardness parameters
作者： A. R. Orsky , M. A. Whitehead
DOI: 10.1139/V87-327
关键词:
摘要: New definitions of the rate change electronegativity with charge, hardness η, an atom, are developed for acids A and bases B, where . These reproduce experimental ordering hard soft bases, produce good trends in diatomic bond energies.
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