Cu4S Cluster in "0-Hole" and "1-Hole" States: Geometric and Electronic 
Structure Variations for the Active Cu-Z* Site of N2O Reductase

Liu, Yang; Chatterjee,, Sayanti; Cutsail III, George E.; Peredkov, Sergey; Gupta, Sandeep K.; Dechert, Sebastian; DeBeer, Serena; Meyer, Franc

doi:10.1021/jacs.3c04893

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Cu4S Cluster in "0-Hole" and "1-Hole" States: Geometric and Electronic Structure Variations for the Active Cu-Z* Site of N2O Reductase

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Cutsail III, George E.
Research Department DeBeer, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Peredkov, Sergey
Research Department DeBeer, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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DeBeer, Serena
Research Department DeBeer, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Liu, Y., Chatterjee, S., Cutsail III, G. E., Peredkov, S., Gupta, S. K., Dechert, S., et al. (2023). Cu4S Cluster in "0-Hole" and "1-Hole" States: Geometric and Electronic Structure Variations for the Active Cu-Z* Site of N2O Reductase. Journal of the American Chemical Society, 145(33), 18477-18486. doi:10.1021/jacs.3c04893.

Cite as: https://hdl.handle.net/21.11116/0000-000D-DC90-8

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