zenodoopen
Dataset for "A QM-CAMD approach to solvent design for optimal reaction rates"
<p>Dataset accompanying "A QM-CAMD approach to solvent design for optimal reaction rates". </p> <p>All Gaussian09 files for Step 2 of the proposed QM-CAMD algorithm</p> <p>Sample GAMS file for Step 4</p> <p>Excel spreadsheet containing a summary of results for all 3 case studies</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