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The active E4 structure of nitrogenase studied with different DFT functionals
The present study concerns the technical aspects of obtaining the energetics for the E4 state of nitrogenase, the enzyme that fixes N(2) in nature. EPR experiments have shown that the critical E4 structure that activates N(2) should contain two bridging hydrides in the FeMo‐cofactor. It is furthermo...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley & Sons, Inc.
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7756797/ https://www.ncbi.nlm.nih.gov/pubmed/33051882 http://dx.doi.org/10.1002/jcc.26435 |