Publications by the researcher in collaboration with Frances Illas Riera (5)

2007

  1. Merging multiconfigurational wavefunctions and correlation functional to predict magnetic coupling constants

    Journal of Computational Chemistry, Vol. 28, Núm. 16, pp. 2559-2568

2004

  1. Density functional theory with alternative spin densities: Application to magnetic systems with localized spins

    Journal of Chemical Physics, Vol. 120, Núm. 1, pp. 18-25

  2. Structural and spectroelectrochemical study of carbonate and bicarbonate adsorbed on Pt(111) and Pd/Pt(lll) electrodes

    Journal of Physical Chemistry B, Vol. 108, Núm. 46, pp. 17928-17939

2001

  1. Adsorption of CO at palladium monolayers deposited on Pt(111) electrodes. Combined spectroelectrochemical and theoretical study

    Journal of Physical Chemistry B, Vol. 105, Núm. 30, pp. 7263-7271

1995

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

    Physical Review B, Vol. 52, Núm. 16, pp. 11998-12005