1. Barcelona Supercomputing Center
  2. BSC host
  3. UiO-66_DFs

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
Isopropanol-freq-bs2.outDownload
Isopropanol-freq.comDownload
output.cmlDownload
Referenced by:

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

Metadata:

Title: /Cluster_PBE-D3 iPrOH
Authors: Le, Hiep
Issue Date: 15-Nov-2023
Publisher: Barcelona Supercomputing Center
Description: isolated isopropanol
URI: https://iochem-bd.bsc.es/browse/handle/100/314152
Appears in Collections:UiO-66_DFs - DOI: 10.19061/iochem-bd-6-305

Show full item record


Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/314152

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License