Supplementary Data for "Exploring the Chemical Space of Metal–Organic Frameworks with rht Topology for High Capacity Hydrogen Storage" (Q6716716)
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Dataset published at Zenodo repository.
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| English | Supplementary Data for "Exploring the Chemical Space of Metal–Organic Frameworks with rht Topology for High Capacity Hydrogen Storage" |
Dataset published at Zenodo repository. |
Statements
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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29 April 2024
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