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[会议论文] 作者：Jianfeng Jia,Hai-Shun Wu,
来源：中国化学会第五届全国物理无机化学会议 年份：2009
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[会议论文] 作者：Jin Lv,Xiao-Hong Xu,Hai-Shun Wu,
来源：中国化学会第五届全国物理无机化学会议 年份：2009
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Substituent and Solvent Effects on Electronic Structure and Spectral Property of ReCl(CO)3(N^N) (N^N
[会议论文] 作者：Ting-Ting Zhang,Jian-Feng Jia,Hai-Shun Wu,
来源：中国化学会第二十七届学术年会 年份：2010
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[会议论文] 作者：Jin Lv,Xiao-Hong Xu,Hai-Shun Wu,
来源：中国化学会第五届全国物理无机化学会议 年份：2009
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[会议论文] 作者：Ru Shan,Jin Lv,Hai-Shun Wu,
来源：第十三届全国量子化学会议 年份：2017
In this paper,the structural,bonding and magnetic properties of small FemVn(m+n≤6)clusters have been investigated at the GGA/PBE level with the unconstrain...
The first carbonyl bond dissociation energies of Fe(CO)5-y(PR3)y( y=0-4) : The role of the phosphine
[会议论文] 作者：Jun Li,Cai-hong Guo,Hai-shun Wu,
来源：第十二届全国量子化学会议 年份：2014
Iron carbonyl complexes have been found with wide applications in organometallics chemistry due to their effective catalytic performance,low price and environmentally friendly.However,the low selectiv...
A Computational Study on the Mechanism for the Chemical Fixation of Carbon Dioxide with Epoxide Cata
[会议论文] 作者：Ying Ren,Cai-Hong Guo,Hai-Shun Wu,
来源：中国化学会第二十七届学术年会 年份：2010
...
Substituent and Solvent Effects on Electronic Structure and Spectral Property of ReCl(CO)3(N^N) (N^N
[会议论文] 作者：Ting-Ting Zhang,Jian-Feng Jia,Hai-Shun Wu,
来源：中国化学会第二十七届学术年会 年份：2010
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[期刊论文] 作者：Jin Lv,Jiang-Yan Zhang,Rui-Rui Liang,Hai-Shun Wu,
来源：中国物理B（英文版） 年份：2016
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[会议论文] 作者：Jianfeng Jia,Lijuan Ma,Jian-Feng Wang,Hai-Shun Wu,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Jin Lv,Jian-Feng Jia,Xiao-Hong Xu,Hai-Shun Wu,
来源：第十一届全国量子化学会议 年份：2011
...
[会议论文] 作者：Jin Lv,Jian-Feng Jia,Xiao-Hong Xu,Hai-Shun Wu,
来源：第十一届全国量子化学会议 年份：2011
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Theoretical Study on the Mechanism of Nickel(0)-Mediated Coupling between Carbon Dioxide and Epoxyet
[会议论文] 作者：Cai-Hong Guo,Jian-Feng Jia,Xian-Ming Zhang,Hai-Shun Wu,
来源：中国化学会第五届全国物理无机化学会议 年份：2009
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The effects of pre-equilibrium emission and secondary decay on the determination of freeze-out volum
[期刊论文] 作者：Hui-Xiao Duan,Dong-Hai Zhang,Fan Zhang,Hai-Shun Wu,
来源：中国物理C（英文版） 年份：2021
The effects of pre-equilibrium emission and secondary decay on the determination of the freeze-out volume are investigated using the isospin-dependent quantum m...
A DFT study on the reaction mechanisms of alkene dehydrogenative silylation catalayzed by bis(imino)
[会议论文] 作者：Dandan Yang,Hai-Yu Li,Cai-Hong Guo,Hai-Shun Wu,
来源：第十三届全国量子化学会议 年份：2017
An in-depth theoretical study has been performed to investigate the mechanism of dehydrogenative silylation catalyzed by the aryl-substituted bis(imino)pyri...
Electronic Structures and Spectral Properties of Au32-nPdn (n=1, 2, 4, 6) Clusters: DFT and TDDFT Th
[会议论文] 作者：Zhuan-yu Wang,Jianfeng Jia,zhongfei xia,Hai-shun Wu,
来源：第十二届全国量子化学会议 年份：2014
Structure and related properties of various Au32-nPdn(n=1,2,4,6)clusters have been investigatedusing density functional theory(DFT).Relative energy values indicate that Pd atom prefers tosubstitute in...
A DFT study on the reaction mechanisms of alkene dehydrogenative silylation catalayzed by bis(imino)
[会议论文] 作者：Dandan Yang,Hai-Yu Li,Cai-Hong Guo,Hai-Shun Wu,
来源：第十三届全国量子化学会议 年份：2017
An in-depth theoretical study has been performed to investigate the mechanism of dehydrogenative silylation catalyzed by the aryl-substituted bis(imino)pyridine cobalt(Ⅰ ) methyl complex,(MesPDI)CoPH3...
[会议论文] 作者：Fu-Qiang Zhang,Rui-Qin Fang,Hai-Shun Wu,Xian-Ming Zhang,
来源：第八届中日双边金属原子簇化合物研讨会 年份：2010
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Competition between(18,18)and(18,16)Configurations in Ni2(CO)5:An Isomerization Energy Decomposition
[期刊论文] 作者：Zhi-ling Liu,Yan Bai,Ya Li,Jing He,Qing-yang Lin,Fu-qiang Zhang,Hai-shun Wu,Jian-feng Jia,
来源：化学物理学报（英文版） 年份：2004
The potential energy landscape of the neutral Ni2(CO)5 complex was re-examined.A new C2v structure with double bridging carbonyls is found to compete with the p...
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