An iron-free nitrogenase? Computational estimation of the ability to bind/activate N2 in manganese and cobalt complexes
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DOI: 10.1080/00958972.2024.2372812
Abstract: Abstract Activation of N2 to ammonia occurs in nitrogenases at an unusual carbide-iron-sulfur active site. To deconvolute the factors that allow the nitrogenase Fe to bind N2, we have recently reported a density functional theory… read more here.
Keywords: bind; iron free; bind activate; nitrogenase computational ... See more keywords