Application of generalized exchange local-spin-density-functional theory: Electronegativity, hardness, ionization potential, and electron affinity.

Keywords

Electronegativity, Electron affinity (data page), Ionization, Electron, Ionization energy

References

• On the pauling electronegativity scales—IIKen Ohwada — 1984

Cited by

• The first ionization potentials of some MHk + 1 − and M2H2k + 1− anions calculated by a Green's function methodAlexander I. Boldyrev, W. von Niessen — 1991
• Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functionsRick A. Kendall, Thom H. Dunning, Robert J. Harrison — 1992
• Stability of the molecular anions ClO4−, HCO− and O3− from the self-interaction corrected multiple-scattering Xα methodYufei Guo, M. A. Whitehead — 1991
• Reactivity of biologically important reduced pyridines. VIII. A semiempirical (AM1) study of the oxidation of 3‐substituted‐1‐methyl‐1,4‐dihydropyridinesMarcus E. Brewster, Ming‐Ju Huang, James J. Kaminski — 1991
• Properties and reactivity of first and second row hydridesAchim Mehlhorn, B. Andes Hess, R. Zahradník — 1992
• Ionization potentials, electron affinities, electronegativities, and hardnesses of fractional charged atoms from the density-functional theoryYufei Guo, M. A. Whitehead — 1991
• Properties and reactivity of first- and second-row hydrides: Part 31. Reactions between the first-row hydride anions and H2 - interrelationships between nucleophilic and electrophilic elementary reactionsAchim Mehlhorn, B. Andes Hess, R. Zahradník — 1992
• Density Functionals of Chemical BondingMihai V. Putz — 2008
• An alternative self‐interaction correction in the generalized exchange local‐density functional theoryYufei Guo, M. A. Whitehead — 1991
• Quantum Chemical Reactivity of Atoms-in-MoleculesM. Putz — 2016
• Quantum Algebraic and Stochastic Dynamics for Atomic SystemsM. Putz — 2016

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