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An SCV-MS-Xα study of the bonding and nuclear quadrupole coupling in oxygen compounds of the halogens

✍ Scribed by Graham A. Bowmaker; Peter D.W. Boyd


Book ID
113256914
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
890 KB
Volume
201
Category
Article
ISSN
0166-1280

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Jahn-Teller distortion and electronic st
✍ 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.