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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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