The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-305

This dataset derived results are published in:

Manuscript title: Combined DFT and Kinetic Monte Carlo Study of UiO-66 Catalysts for γ-Valerolactone Production

View as
    • ROOT
      • Cluster_M06
      • Cluster_M06-L
      • Cluster_PBE-D2
      • Cluster_PBE-D3
      • Cluster_PBE-D3_(diffuse)
      • Cluster_PBE0-D3