Supplementary Data for "Exploring the Chemical Space of Metal–Organic Frameworks with rht Topology for High Capacity Hydrogen Storage"
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This dataset includes optimization and simulation inputs, optimized structures, building blocks, computed hydrogen uptakes and textural properties of the metal–organic frameworks that correspond with work in "Exploring the Chemical Space of Metal–Organic Frameworks with rht Topology for High Capacity Hydrogen Storage" (DOI: 10.1021/acs.jpcc.4c00638).
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Zenodo创建时间：
2024-04-29
