On the relationship between molecular core binding energies and atomic charges
- 1 January 1970
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society D: Chemical Communications
- No. 12,p. 727-728
- https://doi.org/10.1039/c29700000727
Abstract
The linear relationship between molecular core binding energies (as measured by X-ray photoelectron spectroscopy or calculated by an “ab initio” SCF–LCAO method) and the Mulliken gross atomic charges is restored if the interatomic Madelung potential is taken into account.Keywords
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