Molecular orbital (MSX?) calculations of s-electron densities of tetrahedrally coordinated ferric iron: Comparison with experimental isomer shifts

Author:

Tang Kai A.,Annersten H.,Ericsson T.

Publisher

Springer Science and Business Media LLC

Subject

Geochemistry and Petrology,General Materials Science

Reference22 articles.

1. Annersten, H., Olesch, M.: Distribution of ferrous and ferric iron in clintonite and the M�ssbauer characteristics of ferric iron in tetrahedral coordination. Can. Mineral. 16, 199?203 (1978)

2. Dunlap, B.D., Kalvius, G.M.: Theory of Isomer Shifts. In: M�ssbauer Isomer Shifts, Shenoy, G.K., Wagner, F.E. (eds). Amsterdam: North-Holland 1978, pp. 15?47

3. Ellis, D.E., Averill, F.W.: Electronic structure of FeCl4 anions in the Hartree-Fock-Slater model. J. Chem. Phys. 60, 2856?2864 (1974)

4. Greenwood, N.N., Gibb, T.C.: M�ssbauer Spectroscopy, London: Chapman and Hall Ltd (1971)

5. Guenzburger, D., Maffeo, B., Larsson, S.: Electronic structure calculation of Fe(CN) 6 ?3 by the SCF-MSX? method: Study of optical transitions, X-ray photoelectron spectrum, and M�ssbauer isomer shift. Int. J. Quantum. Chem. XII, 383?396 (1977a)

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