• closedAccess   A DFT study of methanol dissociation on isolated vanadate groups 

      Gracia, Lourdes; González Navarrete, Patricio; Calatayud Antonino, Mónica; Andres, Juan Elsevier (2008)
      Molecular and dissociative adsorption processes of methanol on isolated vanadate groups have been studied by means of density functional theory calculation at the B3LYP computing level. The catalyst is represented by an ...