Correction to: The effect of atomic point charges on adsorption isotherms of CO2 and water in metal organic frameworks

Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study

“…Comparison of several charge-assignment schemes for CO 2 -adsorption in MOFs also showed a significant effect in many cases. 82,83 In recent work, we showed that the influence of partial charges for COF TpPA-1 and COF 2,3-DhaTph, which are quite similar in pore size and atomic structure, is of minor importance for nitrogen adsorption at higher temperatures. 84 To estimate the impact of using a non-polarizable force field on the adsorption isotherm, we recalculated partial atomic charges with the DDEC6 approach for COF structures loaded with adsorbate molecules.…”