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Issue Date
Title
Author(s)
1991
Evidence for oxygen-island formation on Al(111): Cluster-model theory and x-ray photoelectron spectroscopy
Bagus, Paul S.; Brundle, C. R.; Illas i Riera, Francesc; Parmigiani, Fulvio; Polzonetti, G.
1993
Ab initio valence-bond cluster model for ionic solids: Alkaline-earth oxides
Lorda Donat, Amparo; Illas i Riera, Francesc; Rubio Martínez, Jaime; Torrance, J. B.
1990
Chemisorption of group-III metals on the Si(111) and Ge(111) surfaces: An ab initio study
Ricart, Josep M.; Rubio Martínez, Jaime; Illas i Riera, Francesc
1986
Nonempirical cluster-model study of the chemisorption of atomic hydrogen on the (111) surface of diamondlike crystals
Barone, Vincenzo; Lelj, Francesco; Russo, Nino; Toscano, Marirosa; Illas i Riera, Francesc; Rubio Martínez, Jaime
1988
Chemisorption of atomic aluminum on Si(111): Evidence for an adsorbate-induced relaxation based on ab initio cluster-model calculations
Rubio Martínez, Jaime; Illas i Riera, Francesc; Ricart, Josep M.
1985
Ab initio cluster-model study of the on-top chemisorption of F and Cl on Si(111) and Ge(111) surfaces
Illas i Riera, Francesc; Rubio Martínez, Jaime; Ricart, Josep M.
1993
Evidence for two different bonding mechanisms of Al on Si(111)
Illas i Riera, Francesc; Ricart, Josep M.; Rubio Martínez, Jaime; Casanovas Salas, Jordi
1990
Theoretical analysis of the bonding of oxygen to Cu(100)
Bagus, Paul S.; Illas i Riera, Francesc
1993
Measures of ionicity of alkaline-earth oxides from the analysis of ab initio cluster wave functions
Pacchioni, Gianfranco; Sousa Romero, Carmen; Illas i Riera, Francesc; Parmigiani, Fulvio; Bagus, Paul S.
1994
Ground and excited states of KNiF3: An ab initio cluster-model approach
Casanovas Salas, Jordi; Illas i Riera, Francesc
Discover
Author
80
Viñes Solana, Francesc
24
Morales García, Ángel
24
Sousa Romero, Carmen
20
Moreira, Ibério de Pinho Ribeiro
16
Rodríguez, José A.
.
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Subject
74
Teoria del funcional de densitat
66
Density functionals
24
Adsorció
24
Estructura electrònica
23
Adsorption
.
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Date issued
31
2020 - 2023
86
2010 - 2019
40
2000 - 2009
21
1990 - 1999
3
1985 - 1989
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