QUIMICA FISICA
Departamento
Frances
Illas Riera
Publicaciones en las que colabora con Frances Illas Riera (5)
2007
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Merging multiconfigurational wavefunctions and correlation functional to predict magnetic coupling constants
Journal of Computational Chemistry, Vol. 28, Núm. 16, pp. 2559-2568
2004
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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
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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
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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
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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