Absolute electronegativity and hardness correlated with molecular orbital theory
نویسندگان
چکیده
منابع مشابه
Absolute electronegativity and hardness correlated with molecular orbital theory.
The concepts of absolute electronegativity, chi, and absolute hardness, eta, are incorporated into molecular orbital theory. A graphic and concise definition of hardness is given as twice the energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital. Useful correlations can now be made between chemical behavior, visible-UV absorption spectra, optical ...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 1986
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.83.22.8440