Xin Xu
Affiliations: | Fudan university, Shanghai, Shanghai Shi, China |
Website:
https://xdft.fudan.edu.cn/Google:
"Xin Xu"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Qianer Zhang | grad student | ||
| William A. Goddard | research scientist | Caltech |
Children
Sign in to add trainee| Sai Duan | grad student | ||
| Neil-qiang Qiang Su | grad student | ||
| Igor Ying Zhang | grad student | Xiamen University | |
| Jun Chen | post-doc | 2016-2019 | Xiamen University |
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Publications
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| Bi S, Wang S, Zhang IY, et al. (2023) Improving XYG3-type doubly hybrid approximation using self-interaction corrected SCAN density and orbitals via the PZ-SIC framework: The xDH@SCAN(SIC) approach. The Journal of Chemical Physics. 159 |
| Chen J, Wang F, Xu X. (2023) A global 2A″ state potential energy surface for the Al (2P) + O2 (Σg-3) → AlO (2Σ+) + O (3P) reaction based on the doubly hybrid functional XYG3. The Journal of Chemical Physics. 159 |
| Xu X, Chen J, Liu S, et al. (2023) Differential Cross Sections for the H + HS → H + SH Reaction: A Full-Dimensional State-to-State Quantum Dynamics Study. The Journal of Physical Chemistry. A |
| Duan S, Xu X. (2023) Accurate Simulations of Scanning Tunneling Microscope: Both Tip and Substrate States Matter. The Journal of Physical Chemistry Letters. 6726-6735 |
| Fang Y, Hu R, Ye JY, et al. (2023) Revealing the interfacial water structure on a -nitrobenzoic acid specifically adsorbed Au(111) surface. Chemical Science. 14: 4905-4912 |
| Li X, Niu K, Duan S, et al. (2023) Pyridinic Nitrogen Modification for Selective Acetylenic Homocoupling on Au(111). Journal of the American Chemical Society |
| Duan S, Tian G, Xu X. (2022) A General Framework of Scanning Tunneling Microscopy Based on Bardeen's Approximation for Isolated Molecules. Jacs Au. 3: 86-92 |
| Teale AM, Helgaker T, Savin A, et al. (2022) DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics : Pccp |
| Xu X, Chen J, Lu X, et al. (2022) Strong non-Arrhenius behavior at low temperatures in the OH + HCl → HO + Cl reaction due to resonance induced quantum tunneling. Chemical Science. 13: 7955-7961 |
| Lu X, Li L, Zhang X, et al. (2022) Dynamical Effects of S2 Reactivity Suppression by Microsolvation: Dynamics Simulations of the F(HO) + CHI Reaction on a 21-Dimensional Potential Energy Surface. The Journal of Physical Chemistry Letters. 5253-5259 |