DFT New Mols Ground State Optimisations Formatted Checkpoints
收藏DataCite Commons2021-07-12 更新2025-04-16 收录
下载链接：
https://data.hpc.imperial.ac.uk/resolve/?doi=8393
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资源简介：
DFT New Mols Ground State Optimisations fchks. File names in accordance with the conventions laid out in the collection's README.txt. All files uploaded in one zip.
提供机构：
Imperial College London
创建时间：
2021-07-05
