Modeling the nitrogenase FeMo cofactor with high-spin Fe8 S9 X+ (XN, C) clusters. Is the first step for N2 reduction to NH3 a concerted dihydrogen transfer?-Reference-Cited by-同舟云学术

Modeling the nitrogenase FeMo cofactor with high-spin Fe8 S9 X+ (XN, C) clusters. Is the first step for N2 reduction to NH3 a concerted dihydrogen transfer?

Published:2007-02-23 Issue:8 Volume:28 Page:1342-1356
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Mckee Michael L.

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.20635/fullpdf

Reference115 articles.

1. Nitrogenase MoFe-Protein at 1.16 Å Resolution: A Central Ligand in the FeMo-Cofactor

2. Nitrogen Binding to the FeMo-Cofactor of Nitrogenase

3. Model for Acetylene Reduction by Nitrogenase Derived from Density Functional Theory

4. Activation and protonation of dinitrogen at the FeMo cofactor of nitrogenase

5. Towards an Understanding of the Workings of Nitrogenase from DFT Calculations

Cited by 14 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. N₂binding to the E₀–E₄states of nitrogenase;Dalton Transactions;2023

2. Computational Investigations of the Chemical Mechanism of the Enzyme Nitrogenase;ChemBioChem;2020-01-21

3. A New Nitrogenase Mechanism Using a CFe8S9 Model: Does H2 Elimination Activate the Complex to N2 Addition to the Central Carbon Atom?;The Journal of Physical Chemistry A;2016-01-28

4. A Unified Chemical Mechanism for Hydrogenation Reactions Catalyzed by Nitrogenase;Bioinspired Catalysis;2014-08-22

5. Nitrogenase and Nitrogen Activation;Comprehensive Inorganic Chemistry II;2013