A CNDO study of the electronic structure
A CNDO study of the electronic structure of oxyanions XO4n− with X = Si, P, S, Cl, Ge, As, Se and Br
✍
Germund Höjer; Sara Meza-Höjer; Gisela Hernández de Pedrero
📂
Article
📅
1976
🏛
Elsevier Science
🌐
English
⚖ 475 KB
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 re