Chemical Hardness

by J.A. Alonso (Contribution by), B.G. Baekelandt (Contribution by), L.C. Balbas (Contribution by), P.K. Chattaraj (Contribution by), J.L. Gazquez (Contribution by)

Overview

1. R.G. Pearson
Chemical Hardness - An Historical Introduction
2. P.K. Chattaraj
Density Functional Theory of Chemical Hardness
3. J.L. Gazqu z
Hardness and Softness in Density Functional Theory
4. L. Komorowski
Hardness Indices for Free and Bonded Atoms
5. N.H. March
The Ground-State Energy of Atomic and Molecular Ions and
Its Variation with the Number of Elections
6. K. Sen
Isoelectronic Changes in energy, Electronegativity, and
Hardness in Atoms via the Calculations of
7. P. Politzer, J.S. Murray, M.E. Grice
Charge Capacities and Shell Structures of Atoms
8. R. F. Nalewajski
The Hardness Based Molecular Charge Sensitivities and
Their Use in the Theory of Chemical Reactivity
9. B.G. Baekelandt, R. A. Schoonheydt, W.J. Mortier
The EEM Approach to Chemical Hardness in Molecules and
Solids: Fundamentals and Applications
10. J.A. Alonso, L. C. Balbas
Hardness of Metallic Clusters

Product Details

ISBN-13:	9783662149614
Publisher:	Springer Berlin Heidelberg
Publication date:	03/26/2013
Series:	Structure and Bonding , #80
Edition description:	Softcover reprint of the original 1st ed. 1993
Pages:	268
Product dimensions:	6.10(w) x 9.25(h) x 0.02(d)

Table of Contents

Chemical hardness — A historical introduction.- Density functional theory of chemical hardness.- Hardness and softness in density functional theory.- Hardness indices for free and bonded atoms.- The ground-state energy of atomic and molecular ions and its variation with the number of electrons.- Isoelectronic changes in energy, electronegativity, and hardness in atoms via the calculations of TANO.- Charge capacities and shell structures of atoms.- The hardness based molecular charge sensitivities and their use in the theory of chemical reactivity.- The EEM approach to chemical hardness in molecules and solids: Fundamentals and applications.- Hardness of metallic clusters.