| 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 |
132. “Global and full-dimensional potential energy surfaces of the N2 + O2 reaction for hyperthermal collisions”, Chun Tao, Jiawei Yang, Qizhen Hong, Quanhua Sun, Jun Li*,
131. “Neural Network Based ∆-Machine learning approach efficiently brings the DFT potential energy surface to the CCSD(T) quality: a case for the OH + CH3OH reaction”, Kaisheng Song, Jun Li*, Physical Chemistry Chemical Physics, 2023, 25, 11192-11204
130. “Theoretical Kinetics Investigations of the Reaction HO + SO ↔ H + SO2 on an Accurate Full-Dimensional Potential Energy Surface”, Xiaoshan Huang, Jie Qin, Jianxun Zhang, and Jun Li*, International Journal of Chemical Kinetics. 2023; 1-16.
129. “Iodoarene Mediated Efficient Aerobic Oxidation of Aldehydes for Carboxylic Acids”, Kui Zeng, A. Claudia Stückl, Jie Qin, Martin Simon, Can-Jerome Spyra, Jun Li, Franc Meyer, Kai Zhang*, Molecular Catalysis, 2023, 537, 112919
128. “Multiple Pathways for Dissociative Adsorption of SiCl4 on the Si(100)-c(4×2) surface”, Jianxun Zhang, Quan Zhu*, Jun Li*, Symmetry, 2023, 15, 213
127. “Deciphering Dynamics of the Cl + SiH4 → H + SiH3Cl Reaction on a Machine Learning Made Globally Accurate Full-Dimensional Potential Energy Surface”, Xiaohu Xu and Jun Li*, Journal of Physical Chemistry A, 2022, 126, 6456-6466
126. “Ab Initio Characterization of the Potential Energy Profiles for the Multi-Channel Reactions: H/Cl + CH3OH”, Chun Tao and Jun Li*, Computational and Theoretical Chemistry, 2022, 1217, 113906
125. “An Accurate Full-Dimensional H4O Potential Energy Surface and Dynamics of Exchange Reaction”, Jia Li, Yang Liu, Hua Guo, Jun Li*, Physical Chemistry Chemical Physics, 2022, 24, 27548-27557
124. “Quantitative Dynamics of the Paradigmatic SN2 reaction OH− + CH3F on a Chemically Accurate Full-Dimensional Potential Energy Surface”, Jie Qin, Yang Liu, Jun Li*, JCP, 2022, 157, 124301
123.“Permutational-Invariant-Polynomial Neural-Network-based Δ-Machine Learning Approach: A Case for the HO2 Self-reaction and its Dynamics Study”, Yang Liu, and Jun Li*, Journal of Physical Chemistry Letters, 2022, 13, 4729-4738