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Mechanism of Iridium-Mediated Selective Arene Cleavage: Insights from Density Functional Theory (DFT) Calculations 期刊论文
2018, 卷号: 20, 期号: 6, 页码: 1505
作者:  Wen, Xiuling[1];  Wu, Xiajun[1];  Li, Juan[1]
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/13
First principles phase transition, elastic properties and electronic structure calculations for cadmium telluride under induced pressure: density functional theory, LDA, GGA and modified Becke-Johnson potential 期刊论文
2016, 卷号: 3, 期号: 1
作者:  Kabita, Kh[1];  Maibam, Jameson[1];  Sharma, B. Indrajit[1];  Singh, R. K. Brojen[2];  Thapa, R. K.[3]
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/10
A Density Functional Theory Study of the Mechanism of Cu(II)-Catalyzed Synthesis of Pyrido[1,2-a]benzimidazoles 期刊论文
2015, 卷号: 35, 期号: 8, 页码: 1726
作者:  Du Lijuan[1];  Wu Caihong[1];  Gu Honghong[1];  Li Juan[1]
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/10
A density functional theory study of the mechanism of isomerization of 2-aryl-2H-azirines to 2,3-disubstituted indoles by FeCl2 and Rh-2(O2CCF3)(4) 期刊论文
2014, 卷号: 43, 期号: [db:dc_citation_issue], 页码: 5364
作者:  Wu, Caihong[1];  Li, Juan[1];  Yan, Bo[2]
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/03
A density functional theory study of the mechanism of isomerization of 2-aryl-2H-azirines to 2,3-disubstituted indoles by FeCl2 and Rh 2(O2CCF3)4 期刊论文
2014, 卷号: 43, 期号: 14, 页码: 5364
作者:  Wu, Caihong[1];  Li, Juan[1];  Yan, Bo[2]
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/17
Hydrolysis of New Transplatin Analogue Containing One Aliphatic and One Planar Heterocyclic Amine Ligand: A Density Functional Theory Study 期刊论文
2008, 卷号: 21, 期号: 4, 页码: 346
作者:  Yan Gao Li-xin Zhou[1]
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/10
Hydrolysis of new transplatin analogue containing one aliphatic and one planar heterocyclic amine ligand: A density functional theory study 期刊论文
2008, 卷号: 21, 期号: 4, 页码: 346
作者:  Gao, Yan[1];  Zhou, Li-xin[1]
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/06
Density functional theory study of CO adsorption on the Fe(111) surface 期刊论文
2004, 卷号: 400, 期号: [db:dc_citation_issue], 页码: 35
作者:  Chen, YH;  Cao, DB;  Jun, Y;  Li, YW;  Wang, JG
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/03
Elastic Properties and Electronic Structures of Pressure Induced Zinc Sulphide (ZnS): A Density Functional Theory Study 会议论文
Atal Bihari Vajpayee Indian Inst Informat Technol & Management, Gwalior, INDIA, NOV 25-30, 2014
作者:  Kabita, Kh.[1];  Maibam, Jameson[1];  Sharma, B. Indrajit[1];  Singh, R. K. Brojen[2];  Thapa, R. K.[3]
收藏  |  浏览/下载:0/0  |  提交时间:2019/12/17


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