Published November 22, 2023 | Version v1
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Supplementary data as part of the article "Mechanism of Benzene Hydroxylation on Tri-Iron Oxo-Centered Cluster-Based Metal-Organic Frameworks" (https://doi.org/10.1021/acs.jpcc.3c06423)

Authors/Creators

  • 1. University of Insubria

Description

Cartesian coordinates in the *.XYZ format for all the structures optimized at the M06-L/def2-TZVP in the reactivity study as part of the article "Mechanism of Benzene Hydroxylation on Tri-Iron Oxo-Centered 2 Cluster-Based Metal-Organic Frameworks" (https://doi.org/10.1021/acs.jpcc.3c06423)

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xyz-MILFe-C6H6-coordinates-2023-JPCC.zip

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