Data for: Atomistic description of Si etching with HCl
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Dataset with all the CONTCAR files of the minima and TS of the DFT simulations. The computational details are given in the manuscript.
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Zenodo创建时间:
2023-12-20

Dataset with all the CONTCAR files of the minima and TS of the DFT simulations. The computational details are given in the manuscript.