Local Bonding Effects in the Oxidation of CO on Oxygen-CoveredAu(111) from Ab Initio Molecular Dynamics Simulations
Publication information:
Baker T, Friend C, Kaxiras E. Local Bonding Effects in the Oxidation of CO on Oxygen-CoveredAu(111) from Ab Initio Molecular Dynamics Simulations. J. Chem. Theory Comput. 2010;6:279.