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Sulfur K-Edge XAS and DFT Calculations on Nitrile Hydratase: Geometric and Electronic Structure of the Non-heme Iron Active Site
The geometric and electronic structure of the active site of the non-heme iron enzyme nitrile hydratase (NHase) is studied using sulfur K-edge XAS and DFT calculations. Using thiolate (RS(−))-, sulfenate (RSO(−))-, and sulfinate (RSO(2)(−))-ligated model complexes to provide benchmark spectral param...
Shranjeno v:
| izdano v: | J Am Chem Soc |
|---|---|
| Main Authors: | , , , , , , , , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2006
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4485618/ https://ncbi.nlm.nih.gov/pubmed/16402841 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja0549695 |
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