Selected versus complete configuration interaction expansions
- F. Illas
- J. Rubio
- et al.
- 1991
- The Journal of Chemical Physics
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188 results for P.S. Bagus
H-H bond activation in transition metal complexes: An MO-LCAO study of the ligands effect
- Paul S. Bagus
- Gianfranco Pacchioni
- 1991
- Rendiconti Lincei
Theoretical analysis of the bonding of oxygen to Cu(100)
- Paul S. Bagus
- Francesc Illas
- 1990
- Physical Review B
Theoretical analysis of the vibrational shifts of CO chemisorbed on Pd(100)
- Paul S. Bagus
- Gianfranco Pacchioni
- 1990
- Surface Science
Surface electronic structure of heavily-ion-implanted and laser-annealed Si single crystals
- Fulvio Parmigiani
- Paul S. Bagus
- et al.
- 1990
- Physical Review B
Anomalous oxidation of platinum clusters studied by X-ray photoelectron spectroscopy
- F. Parmigiani
- E. Kay
- et al.
- 1990
- Journal of Electron Spectroscopy and Related Phenomena
On the performance of atomic natural orbital basis sets: A full configuration interaction study
- F. Illas
- J.M. Ricart
- et al.
- 1990
- The Journal of Chemical Physics
Molecular orbital theory for the analysis of photoemission spectra
- P.S. Bagus
- D. Coolbaugh
- et al.
- 1990
- Journal of Electron Spectroscopy and Related Phenomena
Cluster calculations of CO chemisorbed on the bridge site of Pd(100)
- Gianfranco Pacchioni
- Paul S. Bagus
- 1990
- The Journal of Chemical Physics
Point-charge effects on the vibrational frequency of CO chemisorbed on Cu and Pd clusters: A model for CO with ionic coadsorbates
- Gianfranco Pacchioni
- Paul S. Bagus
- 1989
- Physical Review B