Isothiourea-catalyzed acylation of paracyclophanols for the construction of planar chirality: the mechanism and origin of stereoselectivity

Haowen Chen, Lan Yu and Donghui Wei

Org. Chem. Front., 2026
DOI: 10.1039/D6QO00184J

Unveiling the dual activation effect of NHC-catalyst in an asymmetric reaction system

Wei Wang, Xiaolin Peng, Xiaoyan Yang, Yonggui Robin Chi and Gefei Hao

Org. Chem. Front., 2024, 11, 3929
DOI: 10.1039/D4QO00660G

Theoretical investigation of a chiral Brønsted acid (CBA)-catalyzed isomerization reaction of BCB: mechanism and origin of stereoselectivity

Yu-Nuo Wang and Yang Wang

New J. Chem., 2024, 48, 11360
DOI: 10.1039/D4NJ01986E

NHC-catalyzed enantioselective radical reactions of enal and pyridinium salt: mechanism and origin of regio- and stereoselectivities

Kuohong Chen, Jiaming Zhang, Qianqian Shi, Lili Han, Dongmin Fu, Donghui Wei and Yanyan Zhu

Catal. Sci. Technol., 2023, 13, 5259
DOI: 10.1039/D3CY00791J

DFT investigation of the DDQ-catalytic mechanism for constructing C–O bonds

Xiu-Fang Zheng, Da-Gang Zhou and Li-Jun Yang

Org. Biomol. Chem., 2024, 22, 3693
DOI: 10.1039/D4OB00346B

Unraveling proton-coupled electron transfer in cofactor-free oxidase- and oxygenase-catalyzed oxygen activation: a theoretical view

Qian-Qian Wang, Yan Qiao and Donghui Wei

Phys. Chem. Chem. Phys., 2025, 27, 20
DOI: 10.1039/D4CP03429E

Mechanistic Investigation on NHC‐Catalyzed Switchable Annulation Reactions: Polarity Controlled Chemoselective Pathways

Linjie Zheng and Yang Wang

Asian J Org Chem, 2026, 15
DOI: 10.1002/ajoc.70347

Mechanisms of β,γ‐Unsaturated Nitriles From Alkenes and Acetonitrile, Catalyzed by Cu/Ni or TBPB? A DFT Investigation

Tian‐Tian Feng, Bin Chen, Lu‐jia Zhong, Da‐Gang Zhou, Rong Li and Li‐Jun Yang

Applied Organom Chemis, 2025, 39
DOI: 10.1002/aoc.70424

Total Synthesis of Brevitaxin

Yang Lu, Tingting Cao, Kang Li, Ying-Wu Lin, Lei Zhu and Jun Huang

Org. Lett., 2024, 26, 5237
DOI: 10.1021/acs.orglett.4c01319

A DFT Study on Organocatalytic Atroposelective Acylation of N‐Aminoindoles: Mechanism and Origin of Axially Chirality

Mengyao Niu, Xinghua Wang, Yan Qiao and Donghui Wei

Chemistry An Asian Journal, 2026, 21
DOI: 10.1002/asia.202500960

NHC-catalyzed covalent activation and control of P(V)-stereogenic phosphorus centers via phosphonyl azolium intermediates

Yanyan Wang, Kuohong Chen, Fengrui Che, Sha Zhao, Pinpin Feng, Qiang Zhao, Donghui Wei, Xingxing Wu and Yonggui Robin Chi

Chem, 2025, 11, 102586
DOI: 10.1016/j.chempr.2025.102586

DFT investigation for the mechanisms of γ-butyrolactones from styrene and acrylic acid, catalyzed by NMA*BF4 and PhSSPh

Bing Yang and Da-Gang Zhou

Computational and Theoretical Chemistry, 2024, 1237, 114654
DOI: 10.1016/j.comptc.2024.114654

Photoreductive Alkylative Dearomatization of N‐Alkyl Pyridin‐1‐ium Salts: Site Selective Access to 4‐Alkyl 1,4‐Dihydropyridines

Chong‐Hui Xu, Liang Zeng, Ming Hu, Jing‐Hao Qin, Xin‐Hua Xu and Jin‐Heng Li

Eur J Org Chem, 2024, 27
DOI: 10.1002/ejoc.202301120

Biomimetic asymmetric transamination reactions catalyzed by axial pyroxamine organocatalysts: Mechanism and origin of stereoselectivity

Li-Li Han, Ruihao Xia, Xitao Zeng, Zhanwei Li, Yan Qiao and Donghui Wei

Molecular Catalysis, 2023, 549, 113514
DOI: 10.1016/j.mcat.2023.113514

Mechanism and Origin of Stereoselectivity of N-Heterocyclic Carbene (NHC)-Catalyzed Transformation Reaction of Benzaldehyde with o-QDM as Key Intermediate: A DFT Study

Yilu Luo, Miao Zhao and Yang Wang

J. Phys. Chem. A, 2024, 128, 6190
DOI: 10.1021/acs.jpca.4c02522

Mechanisms of C(sp3)-H Functionalization of Acetonitrile or Acetone with Alkynes: A DFT Investigation

Bin Chen, Tian-Tian Feng, Da-Gang Zhou and Li-Jun Yang

J. Chem. Inf. Model., 2025, 65, 1953
DOI: 10.1021/acs.jcim.4c02136

In-Depth Insights into the Enantioselective Ketyl-Olefin Cyclizations Promoted by Reductive Multisite Proton-Coupled Electron Transfer

Shanshan Cao, Youlan Meng, Jiajia Guo, Jingqi Chen and Zhiyong Jiang

ACS Catal., 2025, 15, 11852
DOI: 10.1021/acscatal.5c02740

Visible-Light-Induced Photoredox 1,2-Dialkylation of Styrenes with α-Carbonyl Alkyl Bromides and Pyridin-1-ium Salts

Chong-Hui Xu, Gui-Fen Lv, Jing-Hao Qin, Xin-Hua Xu and Jin-Heng Li

J. Org. Chem., 2024, 89, 281
DOI: 10.1021/acs.joc.3c02018

Activation Model and Origins of Selectivity for Chiral Phosphoric Acid Catalyzed Diradical Reactions

Ying Wang, Weichi Chen, Yilei Lai and Abing Duan

J. Am. Chem. Soc., 2023, 145, 23527
DOI: 10.1021/jacs.3c07066