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Discussion on Chemical Reactivity Related Atomic Scales

2 DISCUSSION ON CHEMICAL REACTIVITY RELATED ATOMIC SCALES [Pg.262]

Being the actual numerical model mainly a rationalization of the experimental facts, let s involve other estimable quantities. The IP, closely related also with the actual absolute electronegativity (4.253) definition, is a quite accessible spectral atomic index, either theoretical from the limit frequency from which the continuum spectmm is achieved, or experimentally by a Franck-Hertz experiment. Nevertheless, as far as all the valence [Pg.262]

On the other side, if the frozen orbitals are considered at each valence ionization process, a picture supported by (Koopmans 1934) theorem, see also the Volume I of the present five-volume woik, one can write the so-called generalized Pauling IP (Putz, 2006)  [Pg.263]

Such a third dimension can be assigned to the average eneigy of atoms being therefore also the frame in which the absolute/, rj, IP, and EA from general definitions (4.253)-(4.256), respectively, are taken into discussion. [Pg.263]

TABLE 4.5 Calibrating the/j, and /i Functionals So That Their Respective Values [Pg.263]




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