Xiaochuan Ren, Jingxiang Zou, Haodong Zhang, Wei Li* and Shuhua Li*"Block-Correlated Coupled Cluster Theory with up to Four-Pair Correlation for Accurate Static Correlation of Strongly Correlated Systems"  J. Phys. Chem. Lett. 2024, 15, 3, 693–700     PDF  

Jia Cao, Liuzhou Gao, Guoqiang Wang * and Shuhua Li *"Visible light catalyzed arylsilylation of alkenes to construct silicon-containing 1,1-diaryl moieties"  Green Chem. 2024, 26,4785    PDF  

Yang Zheng, Zhigang Ni, Yuqi Wang, Wei Li* and Shuhua Li*"Analytical Gradient Using Cluster-in-Molecule RI-MP2 Method for the Geometry Optimizations of Large Systems"  J. Chem. Theory Comput. 2024, 20, 9, 3626–3636     PDF  

Jiasheng Guo, Chenning Yu, Kenan Li, Yijian Zhang, Guoqiang Wang, Shuhua Li* and Hao Dong*"Retrosynthesis Zero: Self-Improving Global Synthesis Planning Using Reinforcement Learning"  J. Chem. Theory Comput. 2024,20,4921-4938     PDF  

Luhan Dai, Yulong Fu, Mengran Wei, Fangyuan Wang, Bailin Tian, Guoqiang Wang*, Shuhua Li* and Mengning Ding*"Harnessing Electro-Descriptors for Mechanistic and Machine Learning Analysis of Photocatalytic Organic Reactions"  J. Am. Chem. Soc. 2024,146,19019-19029     PDF  

Xiaoshi Su, Guoao Li, Linke He, Shengda Chen, Xiaoliang Yang, Guoqiang Wang* and Shuhua Li* "Nickel-catalyzed, silyl-directed, ortho-borylation of arenes via an unusual Ni(II)/Ni(IV) catalytic cycle"  Nature Communications 2024,15,7549 learn more    PDF  

Fuyu Xie, Sutao Zhang, Mo Yang, Jianghua He*, Shuhua Li* and *Yuetao Zhang* "Frustrated Lewis Pair-Promoted Organocatalytic Transformation of Hydrosilanes into Silanols with Water Oxidant"  J. Am. Chem. Soc. 2024, 146, 29373−29382 learn more    PDF  

Xiaochuan Ren, Jingxiang Zou, Wei Li* and Shuhua Li* "Block-Correlated Coupled Cluster Theory Based on the Generalized Valence Bond Reference for Singlet–Triplet Energy Gaps of Strongly Correlated Systems"  J. Phys. Chem. Lett. 2024, 15, 11342−11352 PDF