Published March 2024
| Version v1
Dataset
Open
Data supporting "Molecular motion of a nanoscopic moonlander via translations and rotations of triphenylphosphine on graphite"
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1.
Graz University of Technology
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2.
University of Surrey
Description
Data set containing vdW corrected DFT calculations using the plane wave periodic boundary condition code CASTEP for the calculations presented in: "Molecular motion of a nanoscopic moonlander via translations and rotations of triphenylphosphine on graphite".
The set contains an .xlsx file with a tabular overview of all data files and the calculated energies of those, and the corresponding .castep files
Files
CASTEP_TPP_graphite.zip
Files
(42.6 MB)
| Name | Size | Download all |
|---|---|---|
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md5:4330d9c8f1fde7cd164f83806aa21039
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42.6 MB | Preview Download |
Additional details
Related works
- Is part of
- Publication: 10.1038/s42004-024-01158-7 (DOI)