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

  • Kunhuan Liu (Contributor)
  • Zhijie Chen (Contributor)
  • Timur Islamoglu (Contributor)
  • Seung Joon Lee (Contributor)
  • Haoyuan Chen (Contributor)
  • Taner Yildirim (Contributor)
  • Omar K. Farha (Contributor)
  • Randall Q Snurr (Contributor)

Dataset

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).
Date made availableApr 29 2024
PublisherZENODO

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