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We have studied the homolytic dissociation of a methyl radical from a model of methyl cobalamin. For this reaction, density functional theory with an atom-pairwise dispersion correction (DFT-D) gives a dispersion contribution to the bond dissociation energy (BDE) of 22-51 kJ mol(-1) depending on the functional, i.e. much more than common estimates for the total dispersion interaction energy of the
