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Computational Investigations of the Chemical Mechanism of the Enzyme Nitrogenase.
ChemBioChem ( IF 2.6 ) Pub Date : 2019-12-05 , DOI: 10.1002/cbic.201900636
Ian Dance 1
Affiliation  

How does nitrogenase convert N2 to NH3? This is still a mystery. Density functional calculations have made substantial contributions to understanding the chemistry of the large metallocluster at the active site, and have generated a variety of proposed mechanisms. The methodologies and mechanisms are critically reviewed here.
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中文翻译:

酶氮酶化学机理的计算研究。

固氮酶如何将N 2转化为NH 3这仍然是一个谜。密度泛函计算为了解大型金属团簇在活性位点的化学性质做出了重大贡献,并产生了各种建议的机理。这里对方法和机制进行了严格的审查。
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更新日期:2019-12-05
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