Mechanistic Analysis of Nucleophilic Substrates Oxidation by Functional Models of Vanadium-Dependent Haloperoxidases: A Density Functional Theory Study (Eur. J. Inorg. Chem. 4/2007)

Mechanistic Analysis of Nucleophilic Sub

Mechanistic Analysis of Nucleophilic Substrates Oxidation by Functional Models of Vanadium-Dependent Haloperoxidases: A Density Functional Theory Study

✍ Curtis J. Schneider; Giuseppe Zampella; Claudio Greco; Vincent L. Pecoraro; Luca 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 180 KB

## Abstract Density functional theory has been used to investigate the structural, electronic, and reactivity properties of an established functional model for vanadium‐dependent haloperoxidases, K[VO(O~2~)Hheida] (Hheida^2–^ = 2,2′‐[(2‐hydroxyethyl)imino]diacetate). Possible solution species were