Dataset for "An approach for the pore-centred description of adsorption in hierarchical porous materials"

Supporting dataset for: “An approach for the pore-centred description of adsorption in hierarchical porous materials”, J. D. Evans, <strong>2022</strong> <strong>Contains:</strong> structures: Structural models used in YAFF .chk format. code: All the code used to generate the pore distributions, adsorption simulations and analysis. geometricporosity: Output from zeo++ used in this analysis. porestructure: Pore size distribution probes labeled by Pr, Nd, Pm. clustering: Metadata produced from the clustering analysis. porecenters: Locations of the pore centres combined with the structure in CIF format, where each pore is labeled by Pr, Nd, Pm. adsorption: Results of Ar simulation at 87K.