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2007 | ||
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2 | EE | Michael L. Mckee: Modeling hydrogen evolution from the Fe4S4 and Fe8S9X (X = N, C) clusters. Can a Fe-S high-spin cluster serve as a surrogate for the FeMo cofactor? Journal of Computational Chemistry 28(11): 1796-1808 (2007) |
1 | EE | Michael L. Mckee: Modeling the nitrogenase FeMo cofactor with high-spin Fe8S9X+ (X=N, C) clusters. Is the first step for N2 reduction to NH3 a concerted dihydrogen transfer? Journal of Computational Chemistry 28(8): 1342-1356 (2007) |