Published September 24, 2024
| Version v3
Dataset
Open
Data of "Influence of nanoparticle shape on hydrogen absorption in Palladium: A combined DFT and atomistic approach"
Creators
Description
xyz of structures, input and output files of DFT calculations, Bader charge files, cube files
Files
dataset.zip
Files
(4.8 GB)
| Name | Size | Download all |
|---|---|---|
|
md5:d4abe8f31a51e0d269b4ea3af4025e0d
|
4.8 GB | Preview Download |
Additional details
Dates
- Created
-
2024-09-19