Unraveling the hydration shell structure and dynamics of group 10 aqua ions
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下载链接：
https://zenodo.org/record/10654382
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资源简介：
1. Input and part of the output file of the sDFT AIMD simulation. The MD simulation script files are provided. Input and output files of 2 subsystems are included.
2. MD trajectory analysis input and output files are also provided. Including radial distribution function, structural function and angular distribution function.
创建时间：
2024-02-13
