Supporting information for: "Impacts of the Imidazolate Linker Substitution (CH3, Cl or Br) on the Structural and Adsorptive Properties of ZIF-8"
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下载链接：
https://zenodo.org/record/10116391
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资源简介：
Simulation output for each system in a .tar.xz file, containing four files:
*.pos.xyz: trajectory in XYZ format
*.vel.xyz: velocities at each step in XYZ format
*.frc.xyz: forces at each step in XYZ format
*.stress: stress matrix at each step
Initial conformation for ab initio simulations are provided as .pdb files.
创建时间：
2023-11-12
