Measures of ionicity of alkaline-earth oxides from the analysis of ab initio cluster wave functions
- Gianfranco Pacchioni
- Carmen Sousa
- et al.
- 1993
- Physical Review B
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188 results for P.S. Bagus
Electrostatic and chemical bonding contributions to the cation core level binding energy shifts in MgO, CaO, SrO, BaO. A cluster model study
- Carmen Sousa
- Tommaso Minerva
- et al.
- 1993
- Journal of Electron Spectroscopy and Related Phenomena
Final state effects for the core-level XPS spectra of NiO
- Paul S. Bagus
- Gianfranco Pacchioni
- et al.
- 1993
- Chemical Physics Letters
Alkali adsorbates on metal surfaces: observable consequences of the ionic K/Cu(100) interaction
- Gianfranco Pacchioni
- Paul S. Bagus
- 1993
- Surface Science
Mechanisms responsible for the shifts of core-level binding energies between surface and bulk atoms of metals
- Paul S. Bagus
- C.R. Brundle
- et al.
- 1993
- Surface Science Reports
The nature of the chemical bond in simple oxides: A theoretical journey from the ionic model to the ab initio configuration interaction approach F
- F. Illas
- A. Lorda
- et al.
- 1993
- The Journal of Chemical Physics
The contribution of metal sp electrons to the chemisorption of CO: theoretical studies of CO on Li, Na, and Cu
- Paul S. Bagus
- Gianfranco Pacchioni
- 1992
- Surface Science
Studies of the CuO bond in cupric oxide by X-ray photoelectron spectroscopy and ab initio electronic structure models
- F. Parmigiani
- G. Pacchioni
- et al.
- 1992
- Journal of Electron Spectroscopy and Related Phenomena
Chemisorption of CO on defect sites of MgO
- Gianfranco Pacchioni
- Tommaso Minerva
- et al.
- 1992
- Surface Science
Chemical shifts of the core-level binding energies for the alkaline-earth oxides
- Paul S. Bagus
- G. Pacchioni
- et al.
- 1992
- Chemical Physics Letters