Local spin density theory of free radicals: Nitroxides
- 1 May 1984
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 80 (9) , 4286-4289
- https://doi.org/10.1063/1.447259
Abstract
No abstract availableKeywords
This publication has 19 references indexed in Scilit:
- Binding energy and electronic structure of small copper particlesPhysical Review B, 1983
- Metal-Metal Bonding in Cr-Cr and Mo-Mo Dimers: Another Success of Local Spin-Density TheoryPhysical Review Letters, 1983
- Theory of spin polarised inhomogeneous relativistic electron gasJournal of Physics C: Solid State Physics, 1981
- Easily Implementable Nonlocal Exchange-Correlation Energy FunctionalPhysical Review Letters, 1981
- Calculation of hyperfine coupling constants using second order double perturbation theory and the configuration interaction methodComputer Physics Communications, 1979
- Nonempirical calculations on the conformation and hyperfine structure of the nitroxide and ketyl groups. Consequences of out-of-plane bending on hyperfine interactionsJournal of the American Chemical Society, 1975
- A local exchange-correlation potential for the spin polarized case. iJournal of Physics C: Solid State Physics, 1972
- Molecular Orbital Treatment of Nitric Oxide Radicals. I. Electronic Structure and Spectrum of the H2NO RadicalBulletin of the Chemical Society of Japan, 1969
- Structure du radical nitroxyde tétraméthyl-2,2,6,6 piperidinol-4 oxyle-1Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1968
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965