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

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Title: /Cluster_PBE-D3 Me2CO
Authors: Le, Hiep
Issue Date: 15-Nov-2023
Publisher: Barcelona Supercomputing Center
Description: isolated acetone
URI: https://iochem-bd.bsc.es/browse/handle/100/314154
Appears in Collections:UiO-66_DFs - DOI: 10.19061/iochem-bd-6-305



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/314154

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