Supplementary data for "Beyond radical-rebound: Methane oxidation to methanol catalyzed by iron species in metal–organic framework nodes"
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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 "Beyond radical-rebound: Methane oxidation to methanol catalyzed by iron species in metal-organic framework nodes" (https://doi.org/10.1021/jacs.1c04766)
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2021-07-28
