Experimental valuation of net atomic charge via XPS
✍ Scribed by L. Meda; ‡ Visiting Scientists. C. Nicastro; ‡ Visiting Scientists. F. Conte; G. F. Cerofolini
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 106 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0142-2421
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Net atomic charges are derived from a least-squares fitting to electrostatic potentials at atomic sites. The method treats atoms in the molecule as having spherically averaged Hartree-Fock densities, the atomic densities overlapping with one another. The method has the advantage of best reproducing
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