DFT calculations supporting the article: Hydrodynamic Rocking Disc Electrode Study of the TEMPO-Mediated Catalytic Oxidation of Primary Alcohols Electroanalysis, 2016, DOI: 10.1002/elan.201600141 by Sunyhik D. Ahn, Adrian C. Fisher, Antoine Buchard, Steven D. Bull, Alan M. Bond and Frank Marken