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Supplementary Data for "Influence of First And Second Coordination Environment on Structural Fe(II) Sites in MIL-101 for C-H Bond Activation in Methane"

Jenny G. Vitillo; Connie C. Lu; Christopher J. Cramer; Aditya Bhan; Laura Gagliardi

Cartesian coordinates for all the optimized geometries reported in "Influence of First And Second Coordination Environment on Structural Fe(II) Sites in MIL-101 for C-H Bond Activation in Methane" (acscatal.0c03906)

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Publication date:
November 22, 2020
DOI:
10.5281/zenodo.4256607

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10.5281/zenodo.4256607

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Keyword(s):
nonheme C-H bond activation MOFs enzymes second coordination shell
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ACS Catalysis:.
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Creative Commons Attribution 4.0 International

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