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Recent applications of the SCF-Xα scattered-wave method to systems of catalytic and biocatalytic importance

✍ Scribed by K. H. Johnson; R. P. Messmer


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
537 KB
Volume
10
Category
Article
ISSN
0020-7608

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X-ray photoelectron, X-ray emission and
✍ 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