Supplementary Data for "Exploring the Chemical Space of Metal–Organic Frameworks with rht Topology for High Capacity Hydrogen Storage"

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Dataset:6716716



DOI10.5281/zenodo.11081955Zenodo11081955MaRDI QIDQ6716716FDOQ6716716

Dataset published at Zenodo repository.

Haoyuan Chen, Randall Q. Snurr, Taner Yildirim, Zhijie Chen, Seung-Joon Lee, Timur Islamoglu, Kunhuan Liu, Omar K. Farha

Publication date: 29 April 2024

Copyright license: Creative Commons Attribution 4.0 International



This dataset includes optimization and simulation inputs, optimized structures, building blocks, computed hydrogen uptakes and textural properties of the metalorganic frameworks that correspond with work in "Exploring the Chemical Space of MetalOrganic Frameworks with rht Topology for High Capacity Hydrogen Storage" (DOI: 10.1021/acs.jpcc.4c00638).







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