| 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 |
117. “A Quasi-Classical Trajectory Investigation of the H + SO2 → OH + SO Reaction on a Full-Dimensional Accurate Potential Energy Surface”, Jie Qin, Jia Li, Jun Li*, Chinese Journal of Chemical Physics, 2021, 34, 649-658
116. “Vibrationally Energy Pooling via Collisions between Asymmetric Stretching Excited CO2: A Quasi-Classical Trajectory Study on An Accurate Full-dimensional Potential Energy Surface”, Dandan Lu, Jun Chen, Hua Guo, and Jun Li*, Physical Chemistry Chemical Physics, 2021, 23, 24165
115. “Vibrational mode-specificity in the dynamics of the Cl + C2H6 → HCl + C2H5 reaction”, Dóra Papp*, Jun Li, Hua Guo, and Gábor Czakó*, Journal of Chemical Physics, 2021, 155, 114303
114. “DCl–H2O, HCl–D2O, and DCl–D2O dimers: Inter- and intramolecular vibrational states and frequency shifts from fully coupled quantum calculations on a full-dimensional neural network potential energy surface”, Peter M. Felker*, Yang Liu, Jun Li, and Zlatko Bačić*, Journal of Physical Chemistry A, 2021, 125, 6437-6449.
113. “Dynamical Investigations of the O(3P) + H2O Reaction at High Collision Energies on an Accurate Full-Dimensional Potential Energy Surface”, Aike Liu* and Jun Li*, Molecular Physics, 2021, 119, e1944686
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