@article {220, title = {Local Bonding Effects in the Oxidation of CO on Oxygen-CoveredAu(111) from Ab Initio Molecular Dynamics Simulations}, journal = {J. Chem. Theory Comput.}, volume = {6}, year = {2010}, pages = {279}, author = {T.A. Baker and C.M. Friend and E. Kaxiras} }