Publications

20 results for Francesc Illas

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
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
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
Theoretical analysis of the bonding of oxygen to Cu(100)
- - Paul S. Bagus
  - Francesc Illas
- 1990
- Physical Review B
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
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