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Data for Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties
<p>Data for the manuscript "Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties". The data set contains all the generated mechanisms, DFT data used for the construction of the RMG library, a backup of the RMG-database, all results and scripts for the evaluation of the results. </p>
ShareScore
40/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 8
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 4