Illas

发表

Chemisorption of atomic aluminum on Si(111): Evidence for an adsorbate-induced relaxation based on ab initio cluster-model calculations.

Rubió, Illas, Ricart, 1988, Physical review. B, Condensed matter.

Evidence for oxygen-island formation on Al(111): Cluster-model theory and x-ray photoelectron spectroscopy.

Bagus, Parmigiani, Illas, 1991, Physical review. B, Condensed matter.

Origin of the vibrational shift of CO chemisorbed on Pt(111).

Rubió, Illas, Márquez, 1995, Physical review. B, Condensed matter.

Accurate prediction of large antiferromagnetic interactions in high- T(c) HgBa2Ca(n-1)Cu(n)O(2n+2+delta) ( n = 2,3) superconductor parent compounds

Muñoz, Illas, de P R Moreira I, 2000, Physical review letters.

Measures of ionicity of alkaline-earth oxides from the analysis of ab initio cluster wave functions.

Pacchioni, Bagus, Parmigiani, 1993, Physical review. B, Condensed matter.

Nature of bonding of alkali metals to Si(111).

Rubió, Illas, Ricart, 1995, Physical review. B, Condensed matter.

Theoretical analysis of the bonding of oxygen to Cu(100).

Bagus, Illas, 1990, Physical review. B, Condensed matter.

Ab initio cluster-model study of the on-top chemisorption of F and Cl on Si(111) and Ge(111) surfaces.

Rubió, Illas, Ricart, 1985, Physical review. B, Condensed matter.

Nonempirical cluster-model study of the chemisorption of atomic hydrogen on the (111) surface of diamondlike crystals.

Russo, Rubió, Barone, 1986, Physical review. B, Condensed matter.

Origin of magnetic coupling in La2CuO4.

Rubió, Illas, Casanovas, 1996, Physical review. B, Condensed matter.

Ionic-covalent transition in titanium oxides.

Illas, Sousa, 1994, Physical review. B, Condensed matter.

Towards an ab initio description of magnetism in ionic solids.

Castell, Illas, Casanovas, 1993, Physical review letters.

Performance of correlation functionals in ab initio chemisorption cluster-model calculations: Alkali metals on Si(111).

Rubió, Illas, Ricart, 1995, Physical review. B, Condensed matter.