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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DOI10.5281/zenodo.10116392Zenodo10116392MaRDI QIDQ6700060
Dataset published at Zenodo repository.
Author name not available (Why is that?)
Publication date: 12 November 2023
Copyright license: No records found.
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 stepInitial conformation for ab initio simulations are provided as .pdb files.
This page was built for dataset: Supporting information for: "Impacts of the Imidazolate Linker Substitution (CH3, Cl or Br) on the Structural and Adsorptive Properties of ZIF-8"
