| 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 |
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
102.“Bouncing Off Walls – Widths of Exit Channels from Shallow Minima Can Dominate Selectivity Control”, Mengna Bai#, Zhitao Feng#, Jun Li, Dean J. Tantillo*, Chem. Sci., 2020, 11, 9937-9944
101.“Mode specificity of a multi-channel reaction prototype: F + CH3OH→HF + CH3O /CH2OH”, Dandan Lu, Jun Li*, Theoretical Chemistry Accounts, 2020, 139, 157
100.“Energy Transfer between Vibrationally Excited Carbon Monoxide based on a Highly Accurate Six-dimensional Potential Energy Surface”, Jun Chen, Jun Li, Joel M. Bowman, and Hua Guo*, Journal of Chemical Physics, 2020, 153, 054310
99.“Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance”, Dandan Lu, Joerg Behler, Jun Li*, Journal of Physical Chemistry A, 2020, 124, 5737-5745
98.“Many-Body Permutationally Invariant Polynomial Neural Network Potential Energy Surface for N4”, Jun Li#*, Zoltan Varga#, Donald G. Truhlar*, and Hua Guo*, Journal of Chemical Theory and Computation, 2020, 16, 4822-4832
97.“High-Fidelity Potential Energy Surfaces for Gas Phase and Gas-Surface Scattering Processes from Machine Learning”, Bin Jiang*, Jun Li*, Hua Guo*, Journal of Physical Chemistry Letters, 2020, 11, 5120-5131
96.“Quantitative Dynamics of the N2O + C2H2 → Oxadiazole Reaction: A Model for 1,3-Dipolar Cycloadditions”, Yang Liu, Jun Li*, ACS Omega, 2020, 5, 23343-23350