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Figure 6
The QM systems used for the FeMo cluster. The small QM model contained only atoms shown with thick sticks, whereas the large QM model included also the two residues shown in thin sticks.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 77| Part 6| December 2021| Pages 906-918
https://doi.org/10.1107/S2052520621009574
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