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Connecting Absolute and Mulliken Electronegativities by Reactivity

The electronegativity of an atom in a molecule can be evaluated starting from the atomic electronegativity (x and hardness (t] ) through the relations (Sanderson, 1976 Mortier, 1987 Parr Bartolotti, 1982 Parr et al., 1978)  [Pg.277]

The reliability of the recently proposed electronegativity expressions, see Putz (2003, 2008b) and Volume II of the present five-volume work (Putz, 2016b), [Pg.277]

To this aim, one can consider the atom placed at the center of a sphere of infinite radius in which has to be evaluated the influence of the electronegativity of the same atom, up to where the probability to find electrons is very low. Therefore, if we apply the limit jV(r- oo) 0, on the actual [Pg.277]

If the Poisson equation within the long-range condition is considered  [Pg.278]

10 POLY-ATOMIC ELECTRONEGATIVITY BY CHEMICAL HARDNESS AND FUKUl FUNCTION [Pg.279]


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Absolute reactivity

And electronegativity

Electronegativity absolute

Mulliken

Mulliken electronegativity

Reactivity electronegativity

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