• Chemisorption of molecular oxygen on Cu(1 0 0): a Hartree¿Fock and density functional study 

      Torras Costa, Juan; Lacaze-Dufaure, C.; Russo, Beniamino; Ricart Pla, Josep Manel (2001-02-20)
      Article
      Accés restringit per política de l'editorial
      The interaction of molecular oxygen with the Cu(1 0 0) surface has been studied by using both Hartree–Fock and density functional methods in the framework of the cluster model approach. In this study, we have used the ...