Published November 1, 2017 | Version v1.1
Software Open

ZIFs generator with mixing ligands: ZIFMixingLigands

Authors/Creators

  • 1. Spanish National Research Council (CSIC), Instituto de Ciencia de Materiales de Madrid (ICMM)
  • 2. Rabdel
  • 3. Sofia

Description

Updated version for Zenodo. With this MC code we generate ZIF structures with mixed ligands. The necessary inputs are the collective of structures generated with TOBUNPOROUS (this feature will be changed soon, and only one initial structure will be needed). The program also generates the input structure for energy optimisations.

Files

salrodgom/ZIFs_generator_tbp2mix_linkers-v1.1.zip

Files (25.0 MB)

Additional details

Related works

Is supplement to
https://github.com/salrodgom/ZIFs_generator_tbp2mix_linkers/tree/v1.1 (URL)

Funding

European Commission
RASPA - Towards more efficient materials for technological processes 279520