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Molecular orbital interpretation of X-ray emission spectra of ClCN and ONCl |
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| Authors: | Åse Støg»rd |
| Institution: | Department of Chemistry, University of Bergen, N-5014 Bergen, Norway |
| Abstract: | Ab initio as well as semi-empirical SCF MO calculations are presented for ClCN and ONCl. The relative intensities for Cl Kβ emission in the two molecules were calculated. The calculated spectra from the ab initio wavefunctions are in excellent agreement with experiments. |
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