zenodoopen
SHARC Trajectories, Cyclohexenone-BF3
<p>We calculated surface hopping trajectories using for the cyclohex-2-enone-BF3 complex using the SHARC program package and a new SHARC-FermiONs interface. </p> <p>This dataset contains the full trajectory data for the two conformers of cyclohex-2-enone-BF3 in the gasphase and in an explicit dichloromethane solvant.</p>
ShareScore
32/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 0
Dataset details
- Repository
- zenodo
- Published
- June 20, 2024
- License
- cc-by-4.0
- DOI
- 10.5281/zenodo.12204482
Scored with release 0.9.0
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