zenodoopen
Data for "Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks"
<p>The AiiDA archives of the high-throughput calculations presented in the paper "Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks".</p><p>The file "MOF_workflows.aiida" contains the actual calculation data and the files with suffix "*.yaml" contain configuration files of the workflows.</p>
ShareScore
40/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 20
- Reuse readiness
- 8
- Engagement
- 4
ScienceDex for faculty
Your academic CV and NIH biosketch
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