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Dataset Open Access

Computation-Ready Experimental Metal-Organic Framework (CoRE MOF) 2019 Dataset All Solvent Removed

Yongchul G. Chung; Emmanuel Haldoupis; Benjamin J. Bucior; Maciej Haranczyk; Seulchan Lee; Konstantinos D. Vogiatzis; Sanliang Ling; Marija Milisavljevic; Hongda Zhang; Jeff S. Camp; Ben Slater; J. Ilja Siepmann; David S. Sholl; Randall Q. Snurr

High-throughput computational screening of metal-organic frameworks rely on the availability of disorder-free atomic coordinate files which can be used as input to simulation software packages.

CoRE MOF Datasets are derived from Cambridge Structural Database (CSD) and also from the World Wide Web.

 

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