Abstract
The results of electronic structure calculations for YOF are presented, making use of Xα-DVM together with experimental X-ray photoelectron and emission spectra for this compound. Three versions of calculations have been performed, depending on the relation between oxygen and fluorine charges in the [YO 4F 4] cluster. The interpretation of experimental spectra is carried out on the basis of these calculations.
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More From: Journal of Electron Spectroscopy and Related Phenomena
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