Data Collection of Patrick Melix
Published December 9, 2022 | Version v1
Dataset Open

Dataset for "An air-stable Cu(I) metal-organic framework for hydrogen storage"

Creators

  • 1. Universität Leipzig
  • 2. Northwestern University

Contributors

  • 1. Northwestern University

Description

Dataset for "An air-stable Cu(I) metal-organic framework for hydrogen storage"

Raw data set of the electronic structure calculations and inputs for the GCMC calculations relating to above publication.

Files

BBTA.zip

Files (689.4 MB)

Name Size Download all
md5:e1ae675d85d067f01f16a2e88b022b34
678.5 MB Preview Download
md5:efae8e481342d3842c76e7b36fe80c8c
10.9 MB Preview Download
md5:75086c44d564c0bcc5e7da8e9d5618f0
33.7 kB Preview Download
md5:21a1e1397d4e930376ebe1ba9634b93f
1.4 kB Preview Download

Additional details

Related works

Is supplement to
Journal article: 10.1021/jacs.3c06393 (DOI)