Journal of Chemical Physics, Vol.102, No.12, 5071-5076, 1995
Correlation Between the Madelung Field and the Reactivity of the MgO Low-Coordinated Surface Sites
Keywords:MAGNESIUM-OXIDE POWDERS;ELECTRONIC-STRUCTURE;HYDROGEN ADSORPTION;MGO(001) SURFACE;HARTREE-FOCK;METHANE;H-2;CHEMISORPTION;CLUSTERS;DISSOCIATION