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Comparison of non-relativistic and quasi-relativistic SCF-Xα scattered-wave calculations of uranocene, thorocene and cerocene

✍ Scribed by N. Rösch

Book ID
108327898
Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
314 KB
Volume
94
Category
Article
ISSN
0020-1693

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✍ J.A. Tossell; D.J. Vaughan; K.H. Johnson 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 529 KB

## Photoionization, X-ray emission and UV excitation energies are calculated for SiOa by the SCF Xcc method and the transition-state procedure. In all cases agreement between calculation and experiment is good. The SiOz-cluster is found to be adequntc for describing localized excitations in quartz