Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Liu, Tianhui"'
Publikováno v:
Journal of Chemical Physics; Nov2013, Vol. 139 Issue 18, p184705, 8p, 3 Diagrams, 6 Graphs
Publikováno v:
Science China Chemistry. 57:147-155
We constructed a six-dimensional potential energy surface (PES) for the dissociative chemisorption of HCl on Au(111) using the neural networks method based on roughly 70000 energies obtained from extensive density functional theory (DFT) calculations
Autor:
Tian, Baoyang1,2, Liu, Tianhui3, Yang, Yanyan1 yyy200409@163.com, Li, Kai2 likai@ciac.ac.cn, Wu, Zhijian2 zjwu@ciac.ac.cn, Wang, Ying2 ywang_2012@ciac.ac.cn
Publikováno v:
Applied Surface Science. Jan2018 Part B, Vol. 427, p953-960. 8p.
Publikováno v:
Journal of Chemical Physics; 2018, Vol. 148 Issue 14, p1-1, 1p, 2 Diagrams, 3 Charts, 6 Graphs