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[会议论文] 作者:Xuelu Ma,Xin Zhang,Wenchao Zhang,
来源:第九届全国物理有机化学学术会议 年份:2011
The reaction mechanism of CO assisted N2 cleavage and functionalization catalyzed by bihafnium complex is performed using Density Function Theory (DFT) method....
Carboxylation of Hafnocene and Ansa-Zirconocene Dinitrogen Complexes with CO2 Insights from A DFT St
[会议论文] 作者:Xuelu Ma,Yanhui Tang,Ming Lei,
来源:第十届全国物理有机化学学术会议 年份:2013
A DFT study on the carboxylation of hafnocene and ansa-zirconocene dinitrogen complexes with CO2 implies that the most favorable CO2 initial insertion in M-N (M...
[会议论文] 作者:Xuelu Ma,Yanhui Tang,Ming Lei,
来源:第十二届全国计算(机)化学学术会议 年份:2013
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A Theoretical Study on Mechanism of Intermolecular Hydroacylation of Aldehyde Catalyzed by Metal Org
[会议论文] 作者:Min Wang,Xuelu Ma,Xin Zhang,Ming Lei,
来源:第十届全国物理有机化学学术会议 年份:2013
The mechanisms of intermolecular hydroacylation of aldehyde are studied using DFT method in both neutral and cationic systems.The catalytic cycle involves four...
[会议论文] 作者:Min Wang,Xuelu Ma,Xin Zhang,Ming Lei,
来源:第十二届全国量子化学会议 年份:2014
The mechanisms of intermolecular hydroacylation of aldehyde are studied using DFT method in both neutral and cationic systems.The catalytic cycle involves three portions: C-H activation,the alkene ins...
PdAg bimetallic electrocatalyst for highly selective reduction of CO2 with low COOH* formation energ
[期刊论文] 作者:Rui Lin,Xuelu Ma,Weng-Chon Cheong,Chao Zhang,Wei Zhu,Jiajing Pei,Kaiyue Zhang,Bin Wang,Shiyou Liang,Yuxi,
来源:纳米研究(英文版) 年份:2019
For electrocatalytic reduction of CO2 to CO,the stabilization of intermediate COOH* and the desorption of CO* are two key steps.Pd can easily stabilize COOH*,wh...
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