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Absolute hardness: companion parameter to absolute electronegativity

โœ Scribed by Parr, Robert G.; Pearson, Ralph G.

Book ID
119939257
Publisher
American Chemical Society
Year
1983
Tongue
English
Weight
658 KB
Volume
105
Category
Article
ISSN
0002-7863

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๐Ÿ“œ SIMILAR VOLUMES

Absolute electronegativity and absolute
Absolute electronegativity and absolute hardness of Lewis acids and bases
โœ Pearson, Ralph G. ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› American Chemical Society ๐ŸŒ English โš– 729 KB

The relationship of xo, the absolute electronegativity, and 7, the absolute hardness, to chemical bonding in Lewis acid-base complexes is examined. This is done by using semiempirical MO theory in which the same experimental parameters appear. The a priori electronegativity of a Lewis acid or base i

Absolute hardness parameter: Finite diff
Absolute hardness parameter: Finite difference versus density functional theoretic definition
โœ S.C. Vinayagam; K.D. Sen ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 119 KB

It is shown that the incorrect trends in the calculated values of absolute hardness parameter, q, for atoms based on the finite difference method, f (I-EA), disappear if the density functional theoretic definition, 1 (S2E/Sn2) is used. Parr and Pearson [ 11 defined the absolute hardness parameter,