论文著作：
1. Congcong Huang, Biyao Yang, Keying Zhang, Juan Li*, Copper/ruthenium relay catalysis for stereodivergent construction of 1,4-nonadjacent stereocenters: mechanistic investigation using DFT calculations, Org. Chem. Front., 2024, 11, 4231–4248.
2. Jiaoyang Liu, Li-juan Huang, Zeang Sun, Juan Li*, Theoretical insights into Pd-catalyzed dual γ-1,1-C(sp3)–H activation of aliphatic carboxylic acids: mechanistic pathways, substituent influence on product selectivity, diastereoselectivity, and additive effects, Org. Chem. Front., 2024, 11, 6393–6410.
3. Mumin Zhang, Jiangping Yang, Wei Rong, Juan Li*, Nickel-catalyzed selective C1–C8 bond cleavage of benzocyclobutenones: theoretical insights into mechanism, substituent effects on regioselectivity, ligand effects on reactivity, and chemoselectivity, Org. Chem. Front., 2023, 10, 5216–5230.
4. Guanghui Song, Wei Rong, Yongyin Liu, Juan Li*, Mechanisms and origin of regioselectivity for manganese-catalyzed denitrogenative annulation and click reactions, Org. Chem. Front., 2023, 10, 3642–3653.
5. Yongyin Liu, Guanghui Song, Hui Chen, Juan Li*, Cu(I)-catalysed asymmetric intramolecular tandem oxaziridination/rearrangement reaction: theoretical insight into the mechanism, enantioselectivity, ligand effect, and comparison with the corresponding Lewis-acid-promoted reaction, Org. Chem. Front., 2023, 10, 448–460.
6. Yupan Li, Guanghui Song, Yongyin Liu, Juan Li*, Theoretical Study of Mechanism and Product Selectivity of Metal-Catalyzed Reactions of Alkynyl Thioethers with Isoxazoles/Anthranils, Mol. Catal., 2022, 528, 112432.
7. Wei Rong, Tian Zhang, Ting Li, Juan Li*, Theoretical study of rhodium- and cobalt-catalyzed decarboxylative transformations of isoxazolones: origin of product selectivity, Org. Chem. Front., 2021, 8, 1257–1266.
8. Guojing Pei, Hui Chen, Wan Xu, Tao Chen, Juan Li*, Diboron-controlled product selectivity switch in copper-catalyzed decarboxylative substitutions of alkynyl cyclic carbonates, Org. Chem. Front., 2021, 8, 6950–6961.
9. Yupan Li, Wan Xu, Ting Wang, Hui Chen, Juan Li*, Mechanisms and origins of regioselectivities of nickel-catalyzed β,δ-vinylarylation of alkenyl esters with vinyl triflates and arylzinc reagents, Org. Chem. Front., 2021, 8, 7025–7036.
10. Guojing Pei, Wan Xu, Juan Li*, Iron- and zinc-mediated reductive coupling of styrenes and alkyl bromides: mechanistic investigation using DFT calculations, Org. Chem. Front., 2021, 8, 3372–3380.
11. Xiuling Wen, Xiajun Wu,Juan Li*, Mechanism of Iridium-Mediated Selective Arene Cleavage: Insights from Density Functional Theory (DFT) Calculations, Org. Lett., 2018, 20, 1505–1508，
12. Ting Li, Wei Rong, Tian Zhang, Juan Li*, Mechanism and Origins of Product Selectivity of Au-Catalyzed Coupling Benzisoxazoles with Ynamides: A Computational Study,ChemCatChem, 2020,12, 5276–5283.
13. Tian Zhang, Xiajun Wu, Juan Li*, Theoretical Study of Rhodium-Catalyzed C-C Activation of Cyclobutanones: Origin of Ligand-Controlled Product Selectivity, ChemCatChem,2020, 7, 1385–1393.
14. Zhongxin Fu, Xianming Guo, Yupan Li, Juan Li*, Computational Study of Catalyst-Controlled Regiodivergent Pathways in Hydroboration of 1,3-Dienes: Mechanism and Origin of Regioselectivity, Org. Chem. Front., 2020, 7, 2157–2167.
15. Ting Wang, Shuting. Lv, Xianming. Guo, Zhanpeng. Li,Juan Li*, Rhodium-catalyzed ene-cycloisomerization of allylic-sulfide-tethered alkylidenecyclopropanes: DFT analysis of origins of regio- and diastereo-selectivities, Org. Chem. Front., 2020, 7, 678–688.
16. Ting Wang, Xianming Guo, Tao Chen*, Juan Li*, The Pd(0) and Pd(II) cocatalyzed isomerization of alkynyl epoxides to furans: a mechanistic investigation using DFT calculations,Dalton Trans.,2020, 49, 9223–9230.
17. Tian Zhang, Ting Li, Xiajun Wu, Juan Li*, Theoretical Study of Ruthenium(0)-Catalyzed Transfer Hydrogenative Cycloaddition of Cyclohexadiene and Norbornadiene with 1,2-Diols to Form Bridged Carbocycles, J. Org. Chem. 2019, 84, 3377−3387.
18. Shengwen Yang, Yilu Xu, Juan Li*, Theoretical Study of Nickel-Catalyzed Proximal C−C Cleavage in Benzocyclobutenones with Insertion of 1,3-Diene: Origin of Selectivity and Role of Ligand, Org. Lett., 2016, 18, 6244–6247.
19. Zeqiang Xie, Jiaojiao Deng, Zhiping Qiu, Juan Li*, Qiang Zhu*, Copper-mediated C(sp(3))−H azidation with Me3SiN3: synthesis of imidazoles from ketones and aldehydes, Chem. Commun., 2016, 52, 6467-6470.
20. Shi Tang, Sheng-Wen Yang, Hongwei Sun, Yali Zhou, Juan Li*, Qiang Zhu*, Pd-Catalyzed Divergent C(sp(2))−H Activation/Cycloimidoylation of 2-lsocyano-2,3-diarylpropanoates, Org. Lett., 2018, 20, 1832–1836.
李娟
广东省
研究领域：
精细化工
研究方向：
理论与计算化学
所在单位：
暨南大学
