基于HMO方法、FMO理论和DFT计算理解Diels-Alder反应的立体专一性、区域选择性和立体选择性
Exploring Stereospecificity, Regioselectivity, and Stereoselectivity in Diels-Alder Reactions: Insights from HMO Method, FMO Theory, and DFT Calculations
基于HMO方法、FMO理论和DFT计算理解Diels-Alder反应的立体专一性、区域选择性和立体选择性 |
| 李唯加, 柳凯, 王一翔, 张志君, 杨一莹, 张冬菊 |
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Exploring Stereospecificity, Regioselectivity, and Stereoselectivity in Diels-Alder Reactions: Insights from HMO Method, FMO Theory, and DFT Calculations |
| Weijia Li, Kai Liu, Yixiang Wang, Zhijun Zhang, Yiying Yang, Dongju Zhang |
| 图3 (a) D-A反应的区域选择性；(b) 计算的势能剖面图(邻位(右)与间位(左)产物)，过渡态和产物构型均为内型(endo)结构，键长：nm |
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