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The Journal of Chemical Physics|December 29, 2010
Communication: Emergence of localized magnetic moment at adsorbed beryllium dimer on grapheneXiang He, Zhao-Xu Chen, Zhaosheng Li, et al.The Journal of Chemical Physics|April 1, 2025
Prediction of adsorption energies of CmHnOp (m ≤ 2, n ≤ 6, p ≤ 2) on transition metals and alloys with machine learning methodsHong Zhu, Hui Guo, Zhi-Hui Liu, et al.Chemical Communications (Cambridge, England)|January 5, 2018
The region-specific segregation and catalytic activity of gold-silver nanoparticlesXiang He, Sheng-En Zhang, Feng Cheng, et al.The Journal of Chemical Physics|January 29, 2009
A theoretical study of the effects of the charge state and size of gold clusters on the adsorption and dissociation of H2Guo-Jun Kang, Zhao-Xu Chen, Zhe Li, et al.The Journal of Physical Chemistry. B|July 28, 2006
Comparative theoretical study of formaldehyde decomposition on PdZn, Cu, and Pd surfacesKok Hwa Lim, Zhao-Xu Chen, Konstantin M Neyman, et al.Langmuir : the ACS Journal of Surfaces and Colloids|September 8, 2004
CH3O decomposition on PdZn(111), Pd(111), and Cu(111). A theoretical studyZhao-Xu Chen, Konstantin M Neyman, Kok Hwa Lim, et al.The Journal of Chemical Physics|July 9, 2024
Comparative simulations of methanol steam reforming on PdZn alloy using kinetic Monte Carlo and mean-field microkinetic modelYongjie Jiang, Yucheng Huang, Hui Guo, et al.The Journal of Organic Chemistry|January 23, 2016
Density Functional and Kinetic Monte Carlo Study of Cu-Catalyzed Cross-Dehydrogenative Coupling Reaction of Thiazoles with THFYuping Cai, Sheng'en Zhang, Yunsheng Xue, et al.Organic & Biomolecular Chemistry|October 8, 2016
Computational insight into the cooperative role of non-covalent interactions in the aza-Henry reaction catalyzed by quinine derivatives: mechanism and enantioselectivityYunsheng Xue, Yuhui Wang, Zhongyan Cao, et al.The Journal of Physical Chemistry. B|July 21, 2006
Effect of steps on the decomposition of CH3O at PdZn alloy surfacesZhao-Xu Chen, Kok Hwa Lim, Konstantin M Neyman, et al.Pageof 4