ZIF-4_Amorphous_Zeolitic_Imidazolate_Frameworks_2023
收藏DataCite Commons2024-03-28 更新2024-07-13 收录
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https://materials.colabfit.org/id/DS_sh7jt3ptmde4_0
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资源简介：
This dataset contains four trajectories of amorphous zeolitic imidazolate frameworks (ZIF-4), liquids calculated at four different volumes and at temperatures of 1500K and 1750K; and three trajectories of the ZIF-4 crystal: one at 300K and two at 1500K. Data was generated at the DFT-PBE-D3 level of theory.
提供机构：
ColabFit
创建时间：
2024-03-28
