Fig. D.1
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Potential energy surface of the H + CO → HCO reaction, in kJ mol−1. Energies are corrected for dispersion and ZPE. Geometries and ZPE energies were obtained at UBHandHLYP-D3(BJ)/6-31+G(d,p) level and DFT energies were refined at UBHandHLYP-D3(BJ)/6-311++G(2df,2pd) level. Reactants and products were obtained by running intrinsic reaction coordinate calculations.
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