精细化工

理论与计算有机化学

1. Bai Taiming(白太明)，Li Hui*(李慧)，Revealing the mechanism of alcohol dehydroxylation and C-C bond formation through concerted catalysis by Ir/Cu bimetallic complexes，J. Org. Chem. 2024, DOI：10.1021/acs.joc.3c02740.
2. Li Hui*(李慧)，Bai Taiming(白太明)，Theoretical study of copper hydride complexes catalyzing terminal alkyne hydroalkylation for C(sp2)–C(sp3) bond formation，Dalton Trans., 2024, 53, 153.
3. Tang Wanyong(唐万勇)，Li Hui*(李慧)，Migration mechanism of the B-H activation of carboranes，Eur. J. Inorg. Chem. 2022, e202200254.
4. Li Hui*(李慧)，Tang Wanyong(唐万勇)，Theoretical calculation of regioselectivity and solvation effects on B–H activation of o-carborane guided by directing group，Dalton Trans., 2021, 50, 10291.
5. Bai Taiming(白太明)，Li Hui*(李慧)，DFT on Terminal alkyne hydroalkylation construction C(sp2)-C(sp3) bond catalyzed by copper hydride complexes，International Conference of Computational Organometallic Catalysis，Beijing，China，2023，Best Poster Award.
6. 王欣欣，李慧*，有机手性胺催化在阻转异构酰肼构建过程中立体选择性来源的理论研究，中国化学会第十五届全国物理有机化学学术会议，中国兰州，2023，优秀墙报。