学术论文 |
[1] Yue S, Wu C, Li K*. A new insight on the NO–CO reaction at the electronic level: homogeneous, E-R, and L–H mechanisms[J]. Journal of Molecular Modeling, 2022,29(1):26. [2] Li, K., Sha, H., Gu, B. Investigation of the diffusion andpermeation of several media molecules in nano-sealing compositesusing molecular dynamics simulation. Micro Nano Lett. 2022,17,32–41. [3] 李坤,顾伯勤,王成. 基于分子动力学的密封材料界面结合能研究[J].合成橡胶工业,2021,44(4):289-293. [4] Kun Li, Boqin Gu. Molecular dynamic simulations investigating the wetting and interfacial properties of acrylonitrile nanodroplets in contact with variously functionalized graphene sheets[J]. Chemical Physics Letters, 2020, 739: 137023. |