遇见数据集

Supporting Datasets for "Chasing crystal embryos of benzoic acid with classical Molecular Dynamics"

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Zenodo2025-05-28 更新2026-05-26 收录
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资源简介:

Molecular Dynamics trajectories of benzoic acid nanoparticles in their own melt at T=300 K; molecular dynamics trajectories of benzoic acid in liquid and crystal; the data were obtained with the MiCMoS v2.3 free software Https://Sites.Unimi.It/Xtal_chem_group/Index.Php/Research/5-Micmos; see readme.txt file within the archive for details.

温度为300 K时,苯甲酸纳米颗粒在其自身熔融态中的分子动力学(Molecular Dynamics)轨迹;苯甲酸在液态与晶态中的分子动力学轨迹;本数据集采用MiCMoS v2.3免费软件生成,软件获取地址为:https://Sites.Unimi.It/Xtal_chem_group/Index.Php/Research/5-Micmos;详细信息请查阅压缩包内的readme.txt文件。

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2025-05-28
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