Research data for "Visualization and Quantification of Geometric Diversity in Metal-Organic Frameworks"
DOI10.5281/zenodo.5271082Zenodo5271082MaRDI QIDQ6706299FDOQ6706299
Dataset published at Zenodo repository.
Volker L. Deringer, Andrew L. Goodwin, Vladislav A. Blatov, Davide Proserpio, Alexander P. Shevchenko, Thomas C. Nicholas, Eugeny V. Alexandrov
Publication date: 26 August 2021
Copyright license: Creative Commons Attribution 4.0 International
This dataset supports the paper:Visualization and Quantification of Geometric Diversity in Metal-Organic Frameworks. The coarse-grained scaled and unscaled structuresare provided here in CIF format. The code introduced in this work is subject tocontinuing development (and can be found at:https://github.com/tcnicholas/coarse-graining),therefore we include here the version of the code used for this paper alongside the Python analysisscripts. The original unprocessed CIFs were extracted from the Cambridge Structural Database (CSD).
This page was built for dataset: Research data for "Visualization and Quantification of Geometric Diversity in Metal-Organic Frameworks"
