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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. (SCI, IF=6.732)
Jiaojiao Deng, Xiuling Wen, Juan Li*, Computational Insights into the Rhodium(III)-Catalyzed Coupling of Benzamides and 1,6-Enynes via a Tunable Arylative Cyclization, Org. Chem. Front., 2017, DOI: 10.1039/C7QO00122C. (SCI, IF=4.693)
Lijuan Du, Yilu Xu, Shengwen Yang, Juan Li*, Xionghui Fu, Computational Insights into the Rhodium(III)-Catalyzed Coupling of Benzamides and 1,6-Enynes via a Tunable Arylative Cyclization, J. Org. Chem. 2016, 81, 1921−1929. (SCI, IF=4.785)
Zhongchao Zhang, Shengwen Yang, Juan Li*, Xiaojian Liao, DFT Mechanistic Study of Rh(III)-Catalyzed [3 + 2]/[5 + 2] Annulation of 4‑Aryl-1,2,3-triazoles and Alkynes Unveils the Dual C−H Activation Strategy, J. Org. Chem. 2016, 81, 9639−9646. (SCI, IF=4.785)
Juan Li*, Lijuan Du, Honghong Gu, Computational studies on Pd-catalyzed functionalization of Csp2–H bonds using a 1,2,3-triazole directing group: cyclization versus substitution, J. Org. Chem. 2015, 80, 10965−10972. (SCI, IF=4.785)
Juan Li*, Zhiping Qiu, DFT studies on the mechanism of the rhodium(III)-catalyzed C-H activation of N-phenoxyacetamide, J. Org. Chem. 2015, 80, 10686−10693. (SCI, IF=4.785)
Zeqiang Xie, Jiaojiao Deng, Zhiping Qiu, Juan Li*, Qiang Zhu*, Copper-mediated C(sp3)-H azidation with Me3SiN3: synthesis of imidazoles from ketones and aldehydes, Chemical Communications.2016, 52, 6467-6470. (SCI, IF=6.718)
Jia-Qiang Wu, Zhi-Ping Qiu, Shang-Shi Zhang, Jing-Gong Liu, Ye-Xing Lao, Lian-Quan Gu, Zhi-Shu Huang,Juan Li*, Honggen Wang, Rhodium(III)-catalyzed C-H/C-C activation sequence: vinylcyclopropanes as versatile synthons in direct C-H allylation reactions, Chemical Communications.2015, 51, 77-80. (SCI, IF=6.718)
Zhiping Qiu, Jiaojiao Deng, Zhongchao Zhang, Caihong Wu, Juan Li*, Xiaojian Liao, Mechanism of the rhodium(III)-catalyzed alkenylation reaction of N-phenoxyacetamide with styrene or N-tosylhydrazone: a computational study, Dalton Trans.2016, 45, 8118-8126.(SCI, IF=4.197)
Juan Li*, Honghong Gu, Caihong Wu, Lijuan Du, The mechanism of transition-metal (Cu or Pd)-catalyzed synthesis of benzimidazoles from amidines: theoretical investigation, Dalton Trans.2014, 43, 16769-16779.(SCI, IF=4.197)
Juan Li*, Caihong Wu, Qi Zhang, Bo Yan*, Theoretical studies of iron(III)-catalyzed intramolecular C–H amination of azides, Dalton Trans.2013, 42, 14369–14373.(SCI, IF=4.197)
Juan Li*, Qi Zhang, Caihong Wu, Honghong Gu, Bo Yan, A DFT study of the mechanism of copper-catalyzed synthesis of 2H-indazoles from aryl azide, Dalton Trans.2014, 43, 55-62.(SCI, IF=4.197)
Juan Li*, Qi Zhang, Li-Xin Zhou, Theoretical Studies on N-O or N-N Bond Formation from Aryl Azide Catalyzed by Iron(II) Bromde Complex, J. Org. Chem. 2012, 77, 2566-2570.(SCI, IF=4.785)
Jiaji Zhao, Qi Zhang, Lanying Liu, Yimiao He, Jing Li, Juan Li*, Qiang Zhu*, CuI-Mediated Sequential Iodination/Cycloetherification of o-Arylphenols: Synthesis of 2- or 4‑Iododibenzofurans and Mechanistic Studies, Org. Lett.2012, 14, 5362–5365. (SCI, IF=6.732)
Honghong Gu, Zhiping Qiu, Zhongchao Zhang, Juan Li*, Bo Yan, A mechanistic study of Pd(OAc)2-catalyzed intramolecular C–H functionalization reaction involving CO/isonitrile insertion, Dalton Trans.2015, 44, 9839-9846. (SCI, IF=4.197)
Caihong Wu, Juan Li*, Bo Yan, A density functional theory study of the mechanism of isomerization of 2-aryl-2H-azirines to 2,3-disubstituted indoles by FeCl2 and Rh2(O2CCF3)4, Dalton Trans.2014, 43, 5364-5374.(SCI, IF=4.197)
Qi Zhang, Caihong Wu, Lixin Zhou, Juan Li*, Theoretical Studies on Intramolecular C−H Amination of Biaryl Azides Catalyzed by Four Different Late Transition Metals, Organometallics2013, 32, 415−426. (SCI, IF=4.253)
Yilu Xu, Shengwen Yang, Lijuan Du, Juan Li*, A Computational Mechanistic Study of Metal-Catalyzed Remote C–H Functionalizations – Insights into the Origin of Regioselectivity and the Role of Acid, Eur. J. Org. Chem. 2017, 381-388.(SCI, IF=3.068)
Jiaojiao Deng, Xiuling Wen, Zhiping Qiu, Juan Li*, Mechanism of Rh(III)-catalyzed cyclopropanation using Nenoxyphthalimides and alkenes: Insights from DFT calculations, Tetrahedron2016, 72, 8456−8462. (SCI, IF=2.645)
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