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
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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20 results for Francesc Illas
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
All electron versus pseudopotentials in ab initio chemisorption cluster model calculations
- Francesc Illas
- Paul S. Bagus
- 1991
- The Journal of Chemical Physics
Selected versus complete configuration interaction expansions
- F. Illas
- J. Rubio
- et al.
- 1991
- The Journal of Chemical Physics
X-ray photoelectron spectroscopy of oxygen adsorbates on Al(111): Theory experiment
- P.S. Baqus
- F. Parmiqiani
- et al.
- 1991
- Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films
Theoretical analysis of the bonding of oxygen to Cu(100)
- Paul S. Bagus
- Francesc Illas
- 1990
- Physical Review B
Reliability of one-electron approaches in chemisorption cluster model studies: Role of core-polarization and core-valence correlation effects
- F. Illas
- J. Rubio
- et al.
- 1990
- The Journal of Chemical Physics
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
Electronic structure of Rh, RhH, and Rh2 as derived from ab initio configuration interaction calculations
- F. Illas
- J. Rubio
- et al.
- 1990
- The Journal of Chemical Physics