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Probing Ligand Effects on the Redox Energies of [4Fe-4S] Clusters Using Broken-Symmetry Density Functional Theory

A central issue in understanding redox properties of iron-sulfur proteins is determining the factors that tune the reduction potentials of the Fe-S clusters. Recently, Solomon and co-workers have shown that the Fe—S bond covalency of protein analogs measured by %L, the percent ligand character of th...

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Detalhes bibliográficos
Main Authors: Niu, Shuqiang, Ichiye, Toshiko
Formato: Artigo
Idioma:Inglês
Publicado em: 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2692907/
https://ncbi.nlm.nih.gov/pubmed/19378988
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp809446q
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