Cluster model description of the chemisorption bond: effect of the cluster model electronic state
- J.M. Ricart
- J. Rubio
- et al.
- 1994
- Surface Science
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9 results for J. Rubio
Bonding geometry and mechanism of NO adsorbed on Cu2O(111): NO activation by Cu+ cations
- M. Fernández-García
- J.C. Conesa
- et al.
- 1994
- The Journal of Chemical Physics
Ab initio valence-bond cluster model for ionic solids: Alkaline-earth oxides
- A. Lorda
- F. Illas
- et al.
- 1993
- Physical Review B
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
On the potential energy surface for collinear OH2+ (4Σ-)
- Francesc Illas
- Paul S. Bagus
- et al.
- 1991
- The Journal of Chemical Physics
Selected versus complete configuration interaction expansions
- F. Illas
- J. Rubio
- et al.
- 1991
- 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
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