代表论文 | [1] Alloying effect on the C–C coupling reactions in acetylene hydrogenation by palladium-coinage metal alloys, a DFT study and microkinetic modeling. Yugai Huang, Zhao-Xu Chen,Applied Surface Science 575 (2022) 151513. [2] DFT and microkinetic study of acetylene transformation on Pd(111), M(111) and PdM(111) surfaces (M = Cu, Ag, Au). Yugai Huang, Hui-Li Lua and Zhao-Xu Chen, Phys. Chem. Chem. Phys., 2022, 24, 3182. [3] The Topology Sampling of H2SO4·NH3 with Meta-Dynamics Method. Yugai Huang, Yu Shang, Wenqing Li, Jiajing He, Hairong Zhou and Bin Gu, CMC, 2019,61(2), 701-710. [4] The Stability of Anionic States of Thymine-Glycine Dimers with Excess Electron.Yugai Huang, CMC, 2018, 57(3),485-494. [5] The stability of excess-electron attached Thymine-Glycine dimer. Yugai Huang , Xia Fang and Bin Gu，Proceedings of the 5th International Congress on Mathematical Biology (ICMB2011) Vol. 3 Nanjing, P. R. China, June 3-5, 2011. |
