Supplementary data as part of the article "Comparing the reaction profiles of single-iron catalytic sites in enzymes and in reticular frameworks for methane-to-methanol oxidation" (https://doi.org/10.1016/j.xcrp.2023.101422)
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https://zenodo.org/record/6632725
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资源简介：
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 "Comparing the reaction profiles of single-iron catalytic sites in enzymes and in reticular frameworks for methane-to-methanol oxidation" (https://doi.org/10.1016/j.xcrp.2023.101422)
创建时间：
2023-06-10
