Calculation of the electronic structure for the manganate and hypomanganate ions by the self consistent field X ? -Scattered Wave Method
- 1 January 1976
- journal article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 72, 1304-1312
- https://doi.org/10.1039/f29767201304
Abstract
The electronic structures of the manganate and hypomanganate ions have been calculated by the self consistent field-Xα-Scattered Wave Model. Ground state, charge density and transition state calculations have been made and compared with the electronic structure of the permanganate ion. Good agreement is observed between the calculated transition state energies and measured optical spectra of each of the ions of interest.Keywords
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