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And absolute hardness

Using density functional theory, the electronic chemical potential, fi and absolute hardness, r] have been introduced by Pearson [14]. A chemical system is characterized by its electronic chemical potential, fi, and by its absolute hardness, r. These are exactly defined... [Pg.117]

Confirm the absolute electronegativity and absolute hardness values for the following species, using data from Table 6-6 and Appendix B-5 ... [Pg.188]

Hard and soft acid and base theory gives access to an early part of the slope in a reaction profile like that in Fig. 3.3, just as perturbation molecular orbital theory does. Using the definitions of absolute electronegativity and absolute hardness derived in Equations 3.5 and 3.6, the (fractional) number of electrons AN transferred is given by Equation 3.14. [Pg.142]

All these approaehes were formally based on the absolute eleetronegativity and absolute hardness indices used as derivatives of the energy function E(N). [Pg.61]

Tab. 2.3 Absolute electronegativities and absolute hardnesses for monoatomic cations [204]. Tab. 2.3 Absolute electronegativities and absolute hardnesses for monoatomic cations [204].
Pearson, R.G. (1985) Absolute Electronegativity and Absolute Hardness of Lewis Acids and Bases, J. Am. Chem. Soc., 107,6801-6806. [Pg.330]

Mulliken-Jaffe electronegativity x) and absolute hardness ( /) for the halide ions, defined using the frontier molecular orbital model. [Pg.472]

Table 1. Extended Hilckel HOMO and LUMO Energies and Absolute Hardnesses from a Series of Aromatic Molecules (Taken ref 162 all values in eV)... Table 1. Extended Hilckel HOMO and LUMO Energies and Absolute Hardnesses from a Series of Aromatic Molecules (Taken ref 162 all values in eV)...
Pearson RG (1985) Absolute electronegativity and absolute hardness of Lewis acids and bases. J Am Chem Soc 107 6801-6806... [Pg.155]

Yield and absolute hardness, 72 Y-sialon glass density, 229 Knoop hardness, 229 Modulus, 229 Young s modulus of AljOj, 241, 259-261 anisotropy in /3-AI2O3, 281 of B4C, 228, 241 and bond type, 172 and crack depth, 155 and cracking, 147 of CrjCj, 302 of germanium, 252 of glass, 238 and hardness, 72 hardness ratio, 179 from Knoop indents, 180 mismatch stress, 273 of MgO, 241, 269 and penetration depth, 47, 240 and plasticity parameter, 241 and residual impression parameter, 240... [Pg.169]

Minimum and Average Energy Gaps and Absolute Hardness Values for Atoms (eV)... [Pg.191]

Pavan, M., Todeschini, R. (Eds.) (2008). Scientific data ranking methods theory and applications. Data handling. In Science and Technology, 1st ed, Elsevier, Oxford, Vol. 27. Pearson, R. G. (1985). Absolute electronegativity and absolute hardness of Lewis acids and bases. J. Am. Chem. Soc. 107,6801-6806. [Pg.562]


See other pages where And absolute hardness is mentioned: [Pg.547]    [Pg.289]    [Pg.564]    [Pg.126]    [Pg.53]    [Pg.131]    [Pg.132]    [Pg.218]    [Pg.459]    [Pg.43]    [Pg.167]    [Pg.174]    [Pg.188]    [Pg.190]   
See also in sourсe #XX -- [ Pg.123 ]




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