Supporting information for: "Impacts of the Imidazolate Linker Substitution (CH3, Cl or Br) on the Structural and Adsorptive Properties of ZIF-8" (Q6700060)
From MaRDI portal
 | This is the item page for this Wikibase entity, intended for internal use and editing purposes. Please use this page instead for the normal view: Supporting information for: "Impacts of the Imidazolate Linker Substitution (CH3, Cl or Br) on the Structural and Adsorptive Properties of ZIF-8" |
Dataset published at Zenodo repository.
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Supporting information for: "Impacts of the Imidazolate Linker Substitution (CH3, Cl or Br) on the Structural and Adsorptive Properties of ZIF-8" |
Dataset published at Zenodo repository. |
Statements
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.
0 references
12 November 2023
0 references
