Theoretical study of the core binding energies of ozone and oxygen difluoride
β Scribed by Ewig, C. S.; Mathews, R. D.; Banna, M. S.
- Book ID
- 126829482
- Publisher
- American Chemical Society
- Year
- 1981
- Tongue
- English
- Weight
- 378 KB
- Volume
- 103
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
The Gaussian-2 (G2) theoretical procedure, based on ab initio molecular orbital theory, is used to calculate the energies of mixed triatomic clusters of carbon and silicon. The G2 energies are used to derive accurate binding energies which are compared with experimental values.
The Ols core spectrum of ozone has been obtained with AI Kc~ X-rays. The central oxygen I s binding energy is 546.2 eV while the terminal oxygen 1 s binding energy is 541.5 eV; this places the central oxygen 1 s at 1.0 eV higher binding energy than that of OF2-X~SW calculations predict the correct b