| 期刊 | 发表数量 | 主要作者的发表数量 |
| Journal of the American Chemical Society | 3 | 3 |
| Nature Chemistry | 1 | 1 |
| CCS Chemistry | 1 | 1 |
| Journal of Chemical Theory and Computation | 1 | 1 |
| Science | 1 | 0 |
| Physical Review Letters | 1 | 0 |
| Angew. Chem. Int. Ed. | 1 | 0 |
| Journal of Chemical Physics | 35 | 19 |
| Journal of Physical Chemistry A | 22 | 16 |
| Journal of Physical Chemistry Letters | 7 | 5 |
| International Reviews in Physical | 1 | 1 |
| Journal of Molecular Structure | 1 | 1 |
| Physical Chemistry Chemical Physics | 23 | 21 |
| Molecular Catalysis | 1 | 1 |
| Journal of Organic Chemistry | 1 | 1 |
| Chemical Physics Letters | 2 | 1 |
| Computational and Theoretical Chemistry | 3 | 2 |
| Symmetry | 1 | 1 |
| Chinese Journal of Chemical Physics | 5 | 5 |
| Theoretical Chemistry Accounts | 4 | 1 |
| Acta Chimica Sinica | 2 | 1 |
| Molecular Physics | 1 | 1 |
| International Journal of Chemical Kinetics | 1 | 1 |
| Chemical Research and Application | 1 | 1 |
| ACS Omega | 1 | 1 |
| Journal of Physical Chemistry B | 1 | 0 |
| RSC Advances | 1 | 0 |
| Chemical Engineering Journal | 1 | 0 |
| Acta Physico-Chimica Sinic | 1 | 0 |
| Chemical Research and Application | 1 | 0 |
112. “Calculation of transport parameters using ab initio and AMOEBA polarizable force field methods”, Heyuan Zhu, Wei Wang, Zhiwei Li, Dandan Ma, Xiaomin Lin, Jun Li, Qiantao Wang*, and Jianyi Ma*, Journal of Physical Chemistry A, 2021, 125, 4918-4927
111. “Theoretical investigation on the interaction between hydrogen atom and Fe( 111)”, Yumeng Li, Jun Li*, Chemical Research and Application, 2021, 33, 1338-1344
110. “Multistructural variational reaction kinetics of the simplest unsaturated methyl ester: H-abstractions from methyl acrylate by H, OH, CH3, and HO2 radicals”, Wenrui Li, Jun Li*, Hongbo Ning*, Yanlei Shang, Sheng-Nian Luo, Journal of Physical Chemistry A, 2021, 125, 5103-5116.
109. “HCl–H2O dimer: An accurate full-dimensional potential energy surface and fully coupled quantum calculations of intra- and intermolecular vibrational states and frequency shifts”, Yang Liu, Jun Li*, Peter M. Felker*, and Zlatko Bačić*, Physical Chemistry Chemical Physics, 2021, 23, 7101 – 7114
108. “A Full-Dimensional Potential Energy Surface and Dynamics of the Multi-Channel Reaction between H and HO2”, Jia Li, Jun Li*, Journal of Physical Chemistry A, 2021, 125, 1540-1552
107. “Potential Energy Surfaces for High-Energy N + O2 Collisions”, Zoltan Varga, Yang Liu, Jun Li, Yuliya Paukku, Hua Guo, and Donald G. Truhlar*, Journal of Chemical Physics, 2021, 154, 084304
106.“An Accurate Full-Dimensional Potential Energy Surface for the Reaction OH + SO → H + SO2”, Jie Qin, Jun Li*, Physical Chemistry Chemical Physics, 2021, 23, 487-497
105.“The Triplet Hydroxyl Radical Complex of Phosphorus Monoxide”, Xianxu Chu, Weiyu Qian, Bo Lu, Lina Wang, Jie Qin, Jun Li, Guntram Rauhut, Tarek Trabelsi, Joseph S. Francisco*, and Xiaoqing Zeng*, Angew. Chem. Int. Ed., 2020, 59, 21949-21953
104.“Advances and New Challenges to Bimolecular Reaction Dynamics Theory”, Jun Li*, Bin Zhao*, Daiqian Xie*, and Hua Guo*, Journal of Physical Chemistry Letters, 2020, 11, 8844-8860
103.“Kinetic Study of the OH + HO2 → H2O + O2 Reaction using Ring Polymer Molecular Dynamics and Quantum Dynamics”, Yang Liu, Hongwei Song*, and Jun Li*, Physical Chemistry Chemical Physics, 2020, 22, 23657-23664