Published April 29, 2024
| Version v2
Dataset
Open
Supplementary Data for "Exploring the Chemical Space of Metal–Organic Frameworks with rht Topology for High Capacity Hydrogen Storage"
Creators
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1.
Northwestern University
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2.
National Institute of Standards and Technology
Description
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).
Files
content.zip
Files
(27.7 MB)
| Name | Size | Download all |
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md5:e08febe4d2508b7f159950ccb525304b
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Additional details
Related works
- Is supplement to
- Publication: 10.1021/acs.jpcc.4c00638 (DOI)