Wei Li, Yunzhi Li, Ruochen Lin, and Shuhua Li*,"Generalized Energy-Based Fragmentation Approach for Localized Excited States of Large Systems ",J. Phys. Chem. A, 2016, 120, 9667.PDF

Pan Xu,Guoqiang Wang,Zhongkai Wu,Shuhua Li* and Chengjian Zhu*,"Rh(III)-catalyzed double C–H activation of aldehyde hydrazones: a route for functionalized 1H-indazole synthesis ",Chem. Sci,2016, Advance Article.PDF

Fei Li,Yunzhi Li,Guo Wei,Yuxiang Wang,Shuhua Li* and Yixiang Cheng* ,"Circularly Polarized Luminescence of Chiral Perylene Diimide Based Enantiomers Triggered by Supramolecular Self-Assembly ",Chem.Eur.J,2016,22,12910.PDF

Dandan Yuan, Xiaoling Shen, Wei Li and Shuhua Li*, "Are fragment-based quantum chemistry methods applicable to medium-sized water clusters? ",Phys. Chem. Chem. Phys.,2016,18, 16491.PDF

Yuxiang Wang, Yunzhi Li, Shuai Liu, Fei Li, Chengjian Zhu, Shuhua Li* and Yixiang Cheng* ,"Regulating Circularly Polarized Luminescence Signals of Chiral Binaphthyl-Based Conjugated Polymers by Tuning Dihedral Angles of Binaphthyl Moieties ",Macromolecules,2016,49 (15),5444.PDF

Shengyang Ni,Jia Cao,Haibo Mei,Jianlin Han,Shuhua Li* and Yi Pan*, "Sunlight-promoted cyclization versus decarboxylation in the reaction of alkynoates with N-iodosuccinimide: easy access to 3-iodocoumarins ",Green Chem.,2016,18,3935.PDF

Mingxing Zhang, Bin Li, Yunzhi Li, Qian Wang, Wenwei Zhang, Banglin Chen, Shuhua Li*, Yi Pan, Xiaozeng You and Junfeng Bai*, "Finely tuning MOFs towards high performance in C2H2 storage: synthesis and properties of a new MOF-505 analogue with an inserted amide functional group ",Chem. Commun.,2016, 52, 7241.PDF

Tao Fang, Junteng Jia, Shuhua Li*, "Vibrational Spectra of Molecular Crystals with the Generalized Energy-Based Fragmentation Approach ",J.Phys.Chem.A,2016,120,2700.PDF

Guoqiang Wang,Honglin Zhang,Jiyang Zhao,Wei Li,Jia Cao,Chengjian Zhu* and Shuhua Li,* "Homolytic Cleavage of a B−B Bond by the Cooperative Catalysis of Two Lewis Bases: Computational Design and Experimental Verification ",Angew. Chem.,2016,55,5985.PDF

Pan Xu, Guoqiang Wang, Yuchen Zhu, Weipeng Li, Yixiang Cheng, Shuhua Li* and Chengjian Zhu*,"Visible-Light Photoredox-Catalyzed C¢H Difluoroalkylation of Hydrazones through an Aminyl Radical/Polar Mechanism ",Angew. Chem.,2016,55,2939.PDF

W. Li, Z. Ni and S. Li*, "Cluster-in-molecule local correlation method for post-Hartree-Fock calculations of large systems", Mol. Phys., 2016,114,1447.PDF

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