Iron–sulfur bond covalency from electronic structure calculations for classical iron–sulfur clusters-Reference-Cited by-同舟云学术

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Iron–sulfur bond covalency from electronic structure calculations for classical iron–sulfur clusters

Published:2014-01-24 Issue:7 Volume:35 Page:540-552
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Harris Travis V.¹,Szilagyi Robert K.¹

Affiliation:

1. Department of Chemistry and BiochemistryNAI Astrobiology Biogeocatalysis Research Center, Montana State UniversityBozeman Montana59717

Funder

National Science Foundation

National Center for Research Resources (NCRR) [a component of the National Institutes of Health (NIH), (MBS program)]

Kopriva Graduate Fellowship

NASA Astrobiology Institute

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.23518

Reference98 articles.

1. S K-edge X-ray Absorption Studies of Tetranuclear Iron−Sulfur Clusters: μ-Sulfide Bonding and Its Contribution to Electron Delocalization

2. Active-site electronic structure contributions to electron-transfer pathways in rubredoxin and plastocyanin: direct versus superexchange

3. Influence of Copper−Sulfur Covalency and Copper−Copper Bonding on Valence Delocalization and Electron Transfer in the CuA Site of Cytochrome c Oxidase

4. S K-edge XAS and DFT Calculations on Cytochrome P450: Covalent and Ionic Contributions to the Cysteine-Fe Bond and Their Contribution to Reactivity

5. Sulfur K-Edge X-ray Absorption Spectroscopy and Density Functional Theory Calculations on Superoxide Reductase: Role of the Axial Thiolate in Reactivity

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