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The Adsorption of Nitrobenzene on M104(111) (M=Cu, Ag, Au) Surfaces: A Density Functional Theory Stu
[会议论文] 作者：Zhongfei Xia,Jianfeng Jia,Zhuanyu Wang,Haishun Wu,
来源：第十二届全国量子化学会议 年份：2014
At present,scientists have studied the nitrobenzene adsorption on the surface of the cluster aboutthe copper,silver and gold in the experiment,[1,2,3] however,the specific adsorption mechanism isnot v...
Theoretical study of palladium-catalyzed sp3 N-H bond activation oxidative carbonylation of hydrazid
[会议论文] 作者：Changhua Li,Ying Ren,Jianfeng Jia,Haishun Wu,
来源：第十三届全国量子化学会议 年份：2017
A systematic theoretical study has been carried out for the palladium-catalyzed intramolecular cyclocarbonylation reaction of benzohydrazide for the synthesis of 1,3,4-oxadiazole-2(3H)-ones and their...
The effect of Substituent on Electronic Structures and Spectral Properties of Re(I)Tricarbonyl Compl
[会议论文] 作者：Caiting Ma,Tingting Zhang,Jianfeng Jia,Haishun Wu,
来源：第十三届全国量子化学会议 年份：2017
In this report,we theoretically designed a series of monometallic rhenium(I)tricarbonyl complexes containing [Re(CO)3]+fragment with pyca-2,6-iPr2C6H3–based ligand,which derived from its prototype com...
[会议论文] 作者：Aijie Zhang,Jin Guo,Yong Zhou,Jianfeng Jia,Haishun Wu,
来源：第十三届全国量子化学会议 年份：2017
The time-dependent wave packet(TDWP)method has been used to calculate initial state selected reaction for the C+with H2 and its isotopic reaction on a new g...
[期刊论文] 作者：Ming Wei,Wenbo Lu,Guoqin Liu,Yimin Jiang,Xuebo Liu,Liwei Bai,Xiaowei Cao,Jianfeng Jia,Haishun Wu,
来源：中国化学（英文版） 年份：2021
Main observation and conclusionrnAccurate determination of acetaminophen concentration is essential for studying the metabolic status of acetaminophen in clinic...
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