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A DFT Study on the Catalytic CO Oxidative Coupling to Dimethyl Oxalate on Al-Doped Core-Shell Pd Clu
[会议论文] 作者：Xue Feng,Lixia Ling,Yueting Cao,Riguang Zhang,Maohong Fan,Baojun Wang,
来源：第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018) 年份：2018
A series of core-shell catalysts aiming at CO oxidative coupling to dimethyl oxalate(DMO)were constructed,and effects of the second metal doping and surface structures on the reaction activity and fav...
[会议论文] 作者：Lixia Ling,Senpeng Zhao,Peide Han,Baojun Wang,Riguang Zhang,Maohong Fan,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
The density functional theory with the generalized gradient approximation has been used to determine the binding mechanism of Cl2,HCl and Hg species on the ZnO(10-10)surface,and the Hg0 oxidation mech...
[期刊论文] 作者：Ren Cuiai,Li Yanxiang,Cui Jingying,Liu Fengxia,Sheng Zhixin,Xu Wenjun,Zhang Maohong,
来源：中华医学杂志英文版 年份：2014
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