芳环断裂双加氧酶反应机理及结构－功能关系的理论研究
21203245
2012
B0301.化学理论与方法
赖文珍
青年科学基金项目
副教授
中国人民大学
24万元
双加氧酶;混合量子力学/分子力学;区域选择性;氧分子活化;芳环断裂
2013-01-01到2015-12-31
- 中英文摘要
- 结题摘要
- 结题报告
- 项目成果
- 项目参与人
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| 序号 | 标题 | 类型 | 作者 |
|---|---|---|---|
| 1 | Structural, spectroscopic and theoretical studies of a vapochromic platinum(II) terpyridyl complex | 期刊论文 | Wu, Haotian|Du, Pingwu|Lai, Wenzhen|Cao, Rui| |
| 2 | Oxygen activation by homoprotocatechuate 2,3-dioxygenase: a QM/MM study reveals the key intermediates in the activation cycle | 期刊论文 | Dong, Geng|Shaik, Sason|Lai, Wenzhen| |
| 3 | Electrochemical, Spectroscopic and Theoretical Studies of a Simple Bifunctional Cobalt Corrole Catalyst for Oxygen Evolution and Hydrogen Production | 期刊论文 | Han, Yongzhen|Du, Pingwu|Lai, Wenzhen|Cao, Rui| |
| 4 | Reaction mechanism of cobalt-substituted homoprotocatechuate 2,3-dioxygenase: a QM/MM study. | 期刊论文 | Cao, Lili|Dong, Geng|Lai, Wenzhen| |
| 5 | Oxygen activation by homoprotocatechuate 2,3-dioxygenase: a QM/MM study reveals the key intermediates in the activation cycle | 期刊论文 | Dong, Geng|Shaik, Sason|Lai, Wenzhen| |
| 6 | Reaction Mechanism of Homoprotocatechuate 2,3-Dioxygenase with 4-Nitrocatechol: Implications for the Role of Substrate | 期刊论文 | Dong, Geng|Lai, Wenzhen| |
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