Supporting information for: "Improving predictions of solvation free energies from non-polarisable models by applying polarisation corrections" (Thesis data)
收藏DataCite Commons2021-08-02 更新2025-04-17 收录
下载链接：
https://pureportal.strath.ac.uk/en/datasets/eb1e582f-2891-4002-874b-c76e12f88afb
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资源简介：
This dataset contains the python scripts and input files needed to run the simulations and the optimisation algorithm described in the thesis: "Improving predictions of solvation free energies from non-polarisable models by applying polarisation corrections". All the files can be opened with any text editor.
提供机构：
University of Strathclyde
创建时间：
2021-08-02
