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Guest binding distances (in Å) for the eight functionals in the M2(dobdc) series and experimental values when available. Experimental results for CO2 are from Queen et al.,43 while those for CH4 are from this work, and those for H2O are from Mercado et al.92 The upper panels in (a–c) show absolute values for CO2, CH4, and H2O, respectively. The lower panels in (a, b) indicate the relative differences to the experimental values.
