Shuoqing Zhang

31PUBLICATIONS
44CO-AUTHORS
Modelling and simulationReaction engineering (excl. nuclear reactions)Catalysis and mechanisms of reactionsChemical and thermal processes in energy and combustionNeural networks
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Publications (31)

|Apr 30, 2026
Transforming Molecular Synthesis With Large Language Models.

|Feb 27, 2026
Larger Substituents Enhance Stereospecificity in 1,1-Diazene Nitrogen Extrusion through Attenuation of Dynamic Mismatching.

Rong-Kai Wu, Shuo-Qing Zhang, Xin Hong

|Dec 23, 2025
Unveiling mechanistic patterns of copper-catalyzed radical bond formation through linear free energy relationship.

Guo-Xiong Xu, Ji-Ren Liu, Zeng Gao

|Nov 03, 2025
Construction of All-Aliphatic Stereocenters via Enantioselective Alkene Hydroalkylation.

Yan Li, Deguang Liu, Jun-Yang Zhang

|Mar 28, 2025
Transfer Learning-Enabled Ligand Prediction for Ni-Catalyzed Atroposelective Suzuki-Miyaura Cross-Coupling Based on Mechanistic Similarity: Leveraging Pd Knowledge for Ni Discovery.

Xin-Yuan Xu, Li-Gao Liu, Li-Cheng Xu

|Oct 21, 2024
QM9star, two Million DFT-computed Equilibrium Structures for Ions and Radicals with Atomic Information.

Miao-Jiong Tang, Tian-Cheng Zhu, Shuo-Qing Zhang

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Frequent Collaborators

27 joint publications

Xin Hong

3 joint publications

Lutz Ackermann

2 joint publications

Zhang-Jie Shi

2 joint publications

Kai Chen