10.5281/zenodo.4256607
https://zenodo.org/records/4256607
oai:zenodo.org:4256607
Jenny G. Vitillo
Jenny G. Vitillo
0000-0002-6213-2039
University of Insubria
Connie C. Lu
Connie C. Lu
0000-0002-5162-9250
University of Minnesota
Christopher J. Cramer
Christopher J. Cramer
0000-0001-5048-1859
University of Minnesota
Aditya Bhan
Aditya Bhan
0000-0002-6069-7626
University of Minnesota
Laura Gagliardi
Laura Gagliardi
0000-0001-5227-1396
University of Chicago
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"
Zenodo
2020
nonheme
C-H bond activation
MOFs
enzymes
second coordination shell
2020-11-22
10.5281/zenodo.4256606
Creative Commons Attribution 4.0 International
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)