Sulfur K-edge XAS and DFT Calculations on P450 Model Complexes: Effects of Hydrogen Bonding on Electronic Structure and Redox Potentials

Hydrogen bonding is generally thought to play an important role in tuning the electronic structure and reactivity of metal-sulfur sites in proteins. To develop a quantitative understanding of this effect, S K-edge X-ray absorption spectroscopy (XAS) has been employed to directly probe ligand-metal b...

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Bibliographic Details
Main Authors: Dey, Abhishek, Okamura, Taka-aki, Ueyama, Norikazu, Hedman, Britt, Hodgson, Keith O., Solomon, Edward I.
Format: Artigo
Language:Inglês
Published: 2005
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Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC2880190/
https://ncbi.nlm.nih.gov/pubmed/16117545
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja0519031
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