Published May 24, 2019
| Version 1.0.0
Dataset
Open
Computation-Ready Experimental Metal-Organic Framework (CoRE MOF) 2019 Dataset All Solvent Removed
Creators
- 1. Pusan National University
- 2. University of Minnesota Twin Cities
- 3. Northwestern University
- 4. IMDEA
Description
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.
Files
2019-04-11-ASR-internal_14845.csv
Files
(49.7 MB)
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Additional details
Related works
- Is new version of
- 10.5281/zenodo.3228673 (DOI)
- Is supplemented by
- 10.1021/acs.chemmater.5b03836 (DOI)
- 10.1021/acs.chemmater.6b04226 (DOI)