Density functional study of iron(II)-porphine
- 1 June 1991
- journal article
- Published by Elsevier in Physica B: Condensed Matter
- Vol. 172 (1-2), 185-193
- https://doi.org/10.1016/0921-4526(91)90430-m
Abstract
No abstract availableThis publication has 34 references indexed in Scilit:
- Charge-density study of boron nitrilotriacetate, C6H6BNO6, at 100 K: a comparison of polar bondsActa crystallographica Section B, Structural science, crystal engineering and materials, 1988
- Theoretical investigations of the electronic states of porphyrins. III. Low‐lying electronic states of porphinatoiron(II)International Journal of Quantum Chemistry, 1985
- Beyond the local-density approximation in calculations of ground-state electronic propertiesPhysical Review B, 1983
- Metal-Metal Bonding in Cr-Cr and Mo-Mo Dimers: Another Success of Local Spin-Density TheoryPhysical Review Letters, 1983
- A b i n i t i o MO studies of electronic states and Mössbauer spectra of high-, intermediate-, and low-spin Fe(II)-porphyrin complexesThe Journal of Chemical Physics, 1982
- Electronic structure of free-base and transition-metal tetraazaporphyrinsJournal of the American Chemical Society, 1981
- Easily Implementable Nonlocal Exchange-Correlation Energy FunctionalPhysical Review Letters, 1981
- Charge and spin distributions in transition metal porphines and phthalocyaninesJournal of Applied Physics, 1981
- Charge and spin distributions of copper and silver porphineThe Journal of Chemical Physics, 1981
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965