Sulfur K-edge XAS and DFT calculations on nitrile hydratase: geometric and electronic structure of the non-heme iron active site.

作者： Abhishek Dey , Marina Chow , Kayoko Taniguchi , Priscilla Lugo-Mas , Steven Davin

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摘要: The geometric and electronic structure of the active site non-heme iron enzyme nitrile hydratase (NHase) is studied using sulfur K-edge XAS DFT calculations. Using thiolate (RS-)-, sulfe...

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Bipin K. Agarwal, X-Ray Spectroscopy Springer Berlin Heidelberg. ,(1979) , 10.1007/978-3-540-38668-1

Sulfur K-edge XAS and DFT calculations on nitrile hydratase: geometric and electronic structure of the non-heme iron active site.

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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.

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