Ionicity of K chemisorbed on a Cu surface
- Gianfranco Pacchioni
- P.S. Bagus
- 1992
- Surface Science
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188 results for P.S. Bagus
Decomposition of the chemisorption bond by constrained variations: Order of the variations and construction of the variational spaces
- Paul S. Bagus
- Francesc Illas
- 1992
- The Journal of Chemical Physics
Evidence for oxygen-island formation on Al(111): Cluster-model theory and x-ray photoelectron spectroscopy
- P.S. Bagus
- C.R. Brundle
- et al.
- 1991
- Physical Review B
Characterization of oxide surfaces by infrared spectroscopy of adsorbed carbon monoxide: a theoretical investigation of the frequency shift of CO on MgO and NiO
- Gianfranco Pacchioni
- Giuseppe Cogliandro
- et al.
- 1991
- Surface Science
Surface core-level spectroscopy of Cu(100) and Al(100)
- P.S. Bagus
- G. Pacchioni
- et al.
- 1991
- Physical Review B
Origin of the Ba core-level binding-energy difference between tetragonal and orthorhombic YBa2Cu3O7-
- F. Parmigiani
- G. Pacchioni
- et al.
- 1991
- Physical Review B
Bonding geometry and bonding character of thiocyanate adsorbed on a Ag(100) surface
- Gianfranco Pacchioni
- Francesc Illas
- et al.
- 1991
- The Journal of Chemical Physics
On the potential energy surface for collinear OH2+ (4Σ-)
- Francesc Illas
- Paul S. Bagus
- et al.
- 1991
- The Journal of Chemical Physics
Electric field effects on the surface-adsorbate interaction: cluster model studies
- P.S. Bagus
- G. Pacchioni
- 1991
- Electrochimica Acta
All electron versus pseudopotentials in ab initio chemisorption cluster model calculations
- Francesc Illas
- Paul S. Bagus
- 1991
- The Journal of Chemical Physics