Data supporting "Molecular motion of a nanoscopic moonlander via translations and rotations of triphenylphosphine on graphite"
收藏DataCite Commons2024-04-11 更新2024-07-13 收录
下载链接：
https://repository.tugraz.at/doi/10.3217/r0p15-88b50
下载链接
链接失效反馈官方服务：
资源简介：
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
提供机构：
Graz University of Technology
创建时间：
2024-03-20
