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A CNDO study of the electronic structure of oxyanions XO4n− with X = Si, P, S, Cl, Ge, As, Se and Br

✍ Scribed by Germund Höjer; Sara Meza-Höjer; Gisela Hernández de Pedrero

Publisher: Elsevier Science
Year: 1976
Tongue: English
Weight: 475 KB
Volume: 37
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(76)80220-5

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✦ Synopsis

The orbi,tlll order, the bonding properties of the orbitals and the orbitd populations are discussed. It is concluded that the orbital order in the valence shell in alI the ions is la,, lt2, 2al _ , 2t2, Ic, 3t2 and 1 tt The results are compared when possible with experimental data and nb initio results.

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