Shuhua Li

Overview

Best Publications

• Targeted tumour theranostics in mice via carbon quantum dots structurally mimicking large amino acids

  Shuhua Li;Wen Su;Hao Wu;Ting Yuan

  410
  Citations

• Generalized energy-based fragmentation approach for computing the ground-state energies and properties of large molecules.

  Wei Li;Shuhua Li;Yuansheng Jiang

  393
  Citations

• Temperature controlled reversible change of the coordination modes of the highly symmetrical multitopic ligand to construct coordination assemblies: experimental and theoretical studies.

  Bo Zheng;Hao Dong;Junfeng Bai;Yizhi Li

  375
  Citations

• An efficient fragment-based approach for predicting the ground-state energies and structures of large molecules.

  Shuhua Li;Wei Li;Tao Fang

  311
  Citations

• A Time-Dependent DFT Study on Band Gaps and Effective Conjugation Lengths of Polyacetylene, Polyphenylene, Polypentafulvene, Polycyclopentadiene, Polypyrrole, Polyfuran, Polysilole, Polyphosphole, and Polythiophene

  Jing Ma;Shuhua Li;Yuansheng Jiang

  292
  Citations

• Linear scaling local correlation approach for solving the coupled cluster equations of large systems.

  Shuhua Li;Jing Ma;Yuansheng Jiang

  277
  Citations

• Local correlation calculations using standard and renormalized coupled-cluster approaches.

  Wei Li;Piotr Piecuch;Jeffrey R. Gour;Shuhua Li

  266
  Citations

• High and selective CO2 capture by two mesoporous acylamide-functionalized rht-type metal–organic frameworks

  Baishu Zheng;Zhen Yang;Junfeng Bai;Yizhi Li

  248
  Citations

• Visible-Light Photoredox-Catalyzed C−H Difluoroalkylation of Hydrazones through an Aminyl Radical/Polar Mechanism

  Pan Xu;Guoqiang Wang;Yuchen Zhu;Weipeng Li

  247
  Citations

• A large protonated water cluster H+(H2O)27 in a 3D metal-organic framework.

  Meilin Wei;Cheng He;Weijie Hua;Chunying Duan

  245
  Citations

• Exceptionally High Payload of the IR780 Iodide on Folic Acid-Functionalized Graphene Quantum Dots for Targeted Photothermal Therapy.

  Shuhua Li;Shixin Zhou;Yunchao Li;Xiaohong Li

  239
  Citations

• Highly selective CO2 capture of an agw-type metal-organic framework with inserted amides: experimental and theoretical studies.

  Jingui Duan;Zhen Yang;Junfeng Bai;Baishu Zheng

  237
  Citations

• Generalized energy-based fragmentation approach and its applications to macromolecules and molecular aggregates.

  Shuhua Li;Wei Li;Jing Ma

  229
  Citations

• Homolytic Cleavage of a B−B Bond by the Cooperative Catalysis of Two Lewis Bases: Computational Design and Experimental Verification

  Guoqiang Wang;Honglin Zhang;Jiyang Zhao;Wei Li

  226
  Citations

• Selective C−N Borylation of Alkyl Amines Promoted by Lewis Base

  Jiefeng Hu;Guoqiang Wang;Shuhua Li;Zhuangzhi Shi

  219
  Citations

• Unprecedented Immunosuppressive Polyketides from Daldinia eschscholzii, a Mantis‐Associated Fungus

  Ying Lao Zhang;Hui Ming Ge;Wei Zhao;Hao Dong

  209
  Citations

• Finely tuning MOFs towards high performance in C2H2 storage: synthesis and properties of a new MOF-505 analogue with an inserted amide functional group

  Mingxing Zhang;Bin Li;Yunzhi Li;Qian Wang

  190
  Citations

• An efficient implementation of the “cluster-in-molecule” approach for local electron correlation calculations

  Shuhua Li;Jun Shen;Wei Li;Yuansheng Jiang

  187
  Citations

• Unusual concerted Lewis acid-Lewis base mechanism for hydrogen activation by a phosphine-borane compound.

  Yong Guo;Shuhua Li

  179
  Citations

• Metal-Free Synthesis of C-4 Substituted Pyridine Derivatives Using Pyridine-boryl Radicals via a Radical Addition/Coupling Mechanism: A Combined Computational and Experimental Study

  Guoqiang Wang;Jia Cao;Liuzhou Gao;Wenxin Chen

  176
  Citations