zenodoopen
Supporting datasets for "The need for Operando Modelling of 27Al NMR in Zeolites"
<p>tar of directory tree containing input files for VASP and CASTEP calculations of local geometries and NMR parameters (both static and dynamic) for systems described in the manuscript, including MOR and CHA in H and Na form and various water loadings.</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
- March 7, 2023
- License
- cc-by-4.0
- DOI
- 10.5281/zenodo.7708842
Scored with release 0.9.0
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