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Jahn–Teller distortion of the electron density in α-nickel sulfate hexahydrate

✍ Scribed by Hester, J. R. ;Maslen, E. N. ;Glazer, A. M. ;Stadnicka, K.

Book ID
114514947
Publisher
International Union of Crystallography
Year
1993
Tongue
English
Weight
627 KB
Volume
49
Category
Article
ISSN
0108-7681

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📜 SIMILAR VOLUMES

Jahn-Teller distortion and electronic st
Jahn-Teller distortion and electronic structure of the O− center in CaF2: an MS Xα study
✍ Jacques Weber; Hans Bill 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 381 KB

The O-ccntcr in CaFa is invcstisatcd by performing multiple scattcrirq Xa calculations on the (Ore)'-cluster. In agreement with cxpcrimcnt, a strong Jahn-Teller distortion of tctrqondl symmetry is prcdictcd. Finally the ground state electronic structure of the cluster is discussed.