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Estimations of Fe–N(2) Intrinsic Interaction Energies of Iron–Sulfur/Nitrogen–Carbon Sites: A Deeper Bonding Insight by EDA-NOCV Analysis of a Model Complex of the Nitrogenase Cofactor
[Image: see text] The MoFe(7)S(9)C(1–) unit of the nitrogenase cofactor (FeMoco) attracts chemists and biochemists due to its unusual ability to bind aerial dinitrogen (N(2)) at ambient condition and catalytically convert it into ammonia (NH(3)). The mode of N(2) binding and its reaction pathways ar...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8675039/ https://www.ncbi.nlm.nih.gov/pubmed/34926940 http://dx.doi.org/10.1021/acsomega.1c05238 |