zenodoopen
Cation-induced changes in the inner- and outer-sphere mechanisms of electrocatalytic CO2 reduction-related dataset
<p>The DFT- and cDFT-optimized geometries and MD trajectories, and scripts for computing energy gaps and simulating vibration spectra.</p>
ShareScore
24/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 8
- Harmonization
- 4
- Access
- 8
- Reuse readiness
- 0
- Engagement
- 4