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• W2158978681 abstract "The SCF-MSXα method is used to determine the electronic structure of [Fe(CN)6]−3. Optical transition energies and valence electron ionization potentials are calculated and compared with experimental measurements. The electronic charge density at the Fe nucleus is calculated; this result and available electron densities at the Fe nucleus obtained by the same method for other Fe complexes are used to discuss the mechanisms involved in the interpretation of Mossbauer isomer shift values." @default.
• W2158978681 created "2016-06-24" @default.
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• W2158978681 date "1977-08-01" @default.
• W2158978681 modified "2023-09-24" @default.
• W2158978681 title "Electronic structure calculation of [Fe(CN)6]?3 by theSCF-MSX? method: Study of optical transitions, X-ray photoelectron spectrum, and M�ssbauer isomer shifts" @default.
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• W2158978681 doi "https://doi.org/10.1002/qua.560120214" @default.
• W2158978681 hasPublicationYear "1977" @default.
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