jp7b00068_SI_D_C2H6.zip

This is a collection of protocols of QC calculations for the paper "Impact of Edge Oxidation State on Red-Ox Barriers during Hydrocarbon Oxydehydrogenation over Carbon Nanotube Catalysts: a Theoretical Study" by Oleksiy V. Khavryuchenko & Benjamin Frank, denited as SI_D in the Supplement.<div><br></div