Accurate Characterization of the Pore Volume in Microporous Crystalline Materials (Data Download)

Daniele Ongari, Peter G. Boyd, Senja Barthel, Matthew Witman, Maciej Haranczyk & Berend Smit
Project Abstract: Pore volume is one of the main properties for the characterization of microporous crystals. It is experimentally measurable and it can also be obtained from the refined unit cell by a number of computational techniques. In this work we assess the accuracy and the discrepancies between the different computational methods which are commonly used for this purpose, i.e, geometric, helium and probe center pore volume, by studying a database of more than 5000...
This data repository is not currently reporting usage information. For information on how your repository can submit usage information, please see our documentation.