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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
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Program name
- 112 Gaussian
Calculation type