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Dissecting the intimate mechanism of cyanation of {2Fe3S} complexes related to the active site of all-iron hydrogenases by DFT analysis of energetics, transition states, intermediates and products in the carbonyl substitution pathway.

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Description scientific article published in January 2005
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author: Christopher J Pickett  Maurizio Bruschi  Giuseppe Zampella  Piercarlo Fantucci  Luca De Gioia 

Publication date January 1, 2005
Language English
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