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Dongbo Zhao, Xiaoling Shen, Zheng Cheng, Wei Li, Hao Dong* and Shuhua Li*, "Accurate and Efficient Prediction of NMR Parameters of Condensed-Phase Systems with the Generalized Energy-Based Fragmentation Method", J. Chem. Theory Comput. 2020,16,2995 PDF
Congjun Zhu, Jie Dong, Xueting Liu, Liuzhou Gao, Yue Zhao, Jin Xie*, Shuhua Li*, and Chengjian Zhu*, "Photoredox Controlled β-Regioselective Radical Hydroboration of Activated Alkenes with NHC-Boranes", Angew. Chem. Int. Ed. 2020,59,12817 PDF
Zheng Cheng
, Dongbo Zhao, Jing Ma
, Wei Li* and Shuhua Li*,"An On-the-fly Approach to Construct Generalized Energy‒Based Fragmentation Machine Learning Force Fields of Complex Systems", J. Phys. Chem. A , 2020, 124, 5007 PDF
Pan Gao, Liuzhou Gao， Longlong Xi，Zedong Zhang， Shuhua Li * and
Zhuangzhi Shi *,"Enantioselective copper-catalysed
defluorosilylation of trifluoro-methylated alkenes
with silylboronates", Org. Chem. Front 2020, 7, 2618 PDF
Gaowen Zhai, Xueting Liu, Wentao Ma, Guoqiang Wang, Liu Yang, Shuhua Li*, Youting Wu* and Xingbang Hu*,"B(C6F5)3-Catalyzed Tandem Friedel-Crafts and C-H/C-O Coupling Reactions of Dialkylanilines ", Chem. Asian J. 2020, 15, 3082 PDF
Ting Xie,
Guo-Qiang Wang, Ya-Wen Wang,
Weidong Rao,
Haiyan Xu,
Shuhua Li*,
Zhi-Liang Shen*,
Xue-Qiang Chu*,"Selective Quadruple C(sp3
)-F Functionalization of
Polyfluoroalkyl Ketones ", iScience
2020, 23, 101259 PDF
Qingchun Wang,
Mingzhou Duan,
Enhua Xu,
Jingxiang Zou,
Shuhua Li*,"Describing Strong Correlation with Block-Correlated Coupled Cluster Theory ", J. Phys. Chem. Lett.,
2020，11，7536 PDF
Liuzhou Gao,
Guoqiang Wang,
Hui Chen,
Jia Cao,
Xiaoshi Su,
Xueting Liua
Mo Yang,
Xu Cheng, and Shuhua Li*
,"Metal-Free Reductive Coupling of Aliphatic Aldehydes/Ketones
with 4-Cyanopyridines: Expanded Scope and Mechanistic Studies ", Org. Chem. Front.,
2020, 7, 2744 PDF
Jingxiang Zou, Ke Niu, Haibo Ma*, Shuhua Li*, and Wei-Hai Fang*
,"Automatic Selection of Active Orbitals from
Generalized Valence Bond Orbitals ", J. Phys. Chem. A,
2020, 124, 8321 PDF |
