When examining two other molecules, Carbamazepine (CBZ, red) and Estrone (EST, grey) in the same way, a clear trend is not evident. Especially the evolution for the AFI, IFR, MOR and BEA frameworks is not consistent with the prior observation (see Figure ). This can be explained if we look beyond the largest pore diameter of the zeolite frameworks and consider the molecular structure of the PPCPs. interaction energy is determined by the match between the shape of the molecule and the topology of the framework due to deformation penalties that can be imposed on the molecule.