Modeling hydrogen evolution from the Fe4
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Michael L. Mckee
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Article
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2007
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John Wiley and Sons
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English
β 529 KB
## Abstract A highβspin model of nitrogenase with a Fe~8~S~9~X^+^ cluster (X = nitrogen or carbon) is used to test a mechanism for molecular hydrogen production, which is known to accompany ammonia production. The reaction proceeds with a series of protonationβreduction (PR) steps which are conside