Data: Accurate density functional theory forces for charged noncovalent complexes
收藏DataCite Commons2026-05-04 更新2026-05-07 收录
下载链接：
https://zenodo.org/doi/10.5281/zenodo.19910033
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资源简介：
Data corresponding to the work: "Accurate density functional theory forces for charged noncovalent complexes".
The zip file contains:
The data of the Ion dimers, ethanol and Glycine - water complexes used in this work.
The data contains molecular geometries in XYZ format, force components computed with different DFT methods and CCSD(T), as well as interaction and relative energies.
See README.txt for more information
提供机构：
Zenodo
创建时间：
2026-05-04
