| 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 |
67.“An accurate multi-channel multi-reference full-dimensional global potential energy surface for the lowest triplet state of H2O2”, Jun Li*, Richard Dawes* and Hua Guo*, Physical Chemistry Chemical Physics, 2016, 18, 29825-29835.
66.“Mode specific dynamics in the H2 + SH → H + H2S reaction”, Dandan Lu, Ji Qi, Minghui Yang, Jörg Behler*, Hongwei Song* and Jun Li*, Physical Chemistry Chemical Physics, 2016, 18, 29113-29121.
65.“Potential energy surfaces from high fidelity fitting of ab initio points: the permutation invariant polynomial-neural network approach”, Bin Jiang*, Jun Li* and Hua Guo*, International Reviews in Physical Chemistry, 2016, 35, 479-506 (invited, cover article, highly cited papers, ESI).
64.“Ring-polymer molecular dynamical calculations for the F + HCl → HF + Cl reaction on the ground 12Aʹ potential energy surface”, Mengna Bai#, Dandan Lu#, Yongle Li* and Jun Li*, Physical Chemistry Chemical Physics, 2016, 18, 32031-32041 (highlight on back cover).
63.“Full-dimensional global potential energy surfaces describing abstraction and exchange for the H+H2S reaction”, Dandan Lu and Jun Li*, Journal of Chemical Physics, 2016, 145, 014303.
62.“Imaging a multidimensional multichannel potential energy surface: Photodetachment of H¯(NH3) and NH4¯”, Qichi Hu#, Hongwei Song#, Christopher J. Johnson, Jun Li, Hua Guo* and Robert E. Continetti*, Journal of Chemical Physics, 2016, 144, 244311.
61.“Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks”, Brian Kolb, Bin Zhao, Jun Li, Bin Jiang and Hua Guo*, Journal of Chemical Physics, 2016, 144, 224103 (Editor's Choice).
60.“Mode specificity in the OH + CHD3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface”, Hongwei Song*, Yunpeng Lu, Jun Li, Minghui Yang and Hua Guo, Journal of Chemical Physics, 2016, 143, 164303.