| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1300506 | Coordination Chemistry Reviews | 2012 | 14 Pages |
Abstract
⺠We discuss our recent theoretical studies on the mechanism of some specific compounds catalyzed by P450. ⺠The density functional theory (DFT) is used as the quantum mechanical (QM) tool to explore the fundamental mechanism of these reactions. ⺠These studies provide a complementary insight to experiment and suggest some new features.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Dongmei Li, Yong Wang, Keli Han,