By Mellor J.W.
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Additional resources for A Comprehensive Treatise Inorganic and Theoretical Chemistry
Zhou Z, Parr RG (1990) J Am Chem Soc 112:5720 9. Parr RG, Chattaraj PK (1991) J Am Chem Soc 113:1854 10. Parr RG, Yang W (1989) Density functional theory of atoms and molecules, Oxford University Press, New York 11. Parr RG, Donnelly RA, Levy M, Palke WE (1978) J Chem Phys 68:3801 12. Parr RG, Pearson RG (1983) J Am Chem Soc 105:7512 13. Pearson RG (1985) J Am Chem Soc 107:6801 14. Pearson RG (1988) Inorg Chem 27:734 15. Lee C, Yang W, Parr RG (1988) J Mol Struc (Theochem) 163:305 16. n M (1991) In: Labanowski JK, Andzelm JW (eds) Density functional methods in chemistry.
3 Atom-in-Molecule Electronegativity and Hardness . . . . . . . . . . 55 55 56 57 4 Chemical Applications and Expectations . . . . . . . . . . . . . . . 1 Charge Transfer . . . . . . . . . . . . . . . . . . . . . 2 Charge Transfer Affinity . . . . . . . . . . . . . . . . . . 3 Pearson Principle (HSAB) . . . . . . . . . . . . . . . . . . 4 Pauling Electronegativity Scale . . . . . .
Thus one can see from Eq. (33) that the electronegativity is just the negative of the chemical potential of density functional theory . Through this 36 Jos6 L. G~izquez identification, the principle of electronegativity equalization can be readily understood, since the chemical potential (electronegativity) of the system must be uniform throughout the space occupied by the molecule. When two molecules come into interaction, then some charge is transferred from one of them to the other in order to equalize their chemical potentials (electronegativities).