Molecular Dynamics Dataset of NaCl-Containing Ice Ih Using GROMACS: Temperature-Dependent Structural Properties and Ion-Specific Tetrahedral Order (240–273 K)
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This version updates the 240 K structural analysis using a separately prepared and documented production trajectory. The corresponding structural descriptors, ion-centred tetrahedral-order profiles, and associated analysis outputs have been updated. The 250, 260, and 273 K datasets remain unchanged. The previous version is retained for provenance and reproducibility.
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Zenodo创建时间：
2026-10-29
