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How Does Ethene Inactivate Cytochrome P450 En Route to Its Epoxidation? A Density Functional Study

✍ Scribed by Sam P. de Visser; François Ogliaro; Sason Shaik

Publisher: John Wiley and Sons
Year: 2001
Tongue: English
Weight: 166 KB
Volume: 113
Category: Article
ISSN: 0044-8249
DOI: 10.1002/1521-3757(20010803)113:15<2955::aid-ange2955>3.0.co;2-5

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How Does Ethene Inactivate Cytochrome P450 En Route to Its Epoxidation? A Density Functional Study

✍ Sam P. de Visser; François Ogliaro; Sason Shaik 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 165 KB

The suicidal complex 2, which inactivates cytochrome P450 during olefin epoxidation, was shown by density functional calculations to be formed from the same high-spin intermediate ( 1-III) that leads to stereochemical scrambling.