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Molecular O2 Activation over Cu(I)-Mediated C identical withN Bond for Low-Temperature CO Oxidation. 期刊论文
ACS Applied Materials and Interfaces, 2018, 卷号: 10, 期号: 20, 页码: 17167-17174
作者:  Hu, Siyu;  Xiao, Wen;  Yang, Weiwei;  Yang, Ji;  Fang, Yarong
收藏  |  浏览/下载:14/0  |  提交时间:2019/12/23
Bimetallic Ruthenium Vinyl Complexes Bridged by Electronic Substituent Phenylenes: Spectroelectrochemical and Computational Studies 期刊论文
International Journal of Electrochemical Science, 2016, 卷号: 11, 期号: 9, 页码: 7875-7889
作者:  Zhang, Jing;  Sun, Chao-Fang;  Wu, Xiang-Hua;  Zhang, Ming-Xing;  Yin, Jun
收藏  |  浏览/下载:10/0  |  提交时间:2019/12/23
Rh-catalyzed decarbonylation of conjugated ynones via carbon-alkyne bond activation: Reaction scope and mechanistic exploration via DFT calculations 期刊论文
Chemical Science, 2015, 卷号: 6, 期号: 5, 页码: 3201-3210
作者:  Dermenci, Alpay;  Whittaker, Rachel E.;  Gao, Yang;  Cruz, Faben A.;  Yu, Zhi-Xiang*
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/23
A coumarin-derived fluorescent chemosensor for selectively detecting Cu2+: Synthesis, DFT calculations and cell imaging applications 期刊论文
Talanta, 2014, 卷号: 124, 页码: 139-145
作者:  Chen, Fengjuan;  Liu, Guozhen;  Shi, Yanjun;  Xi, Pinxian;  Cheng, Ju
收藏  |  浏览/下载:11/0  |  提交时间:2019/12/23
Hexahydrophthalimide-benzothiazole hybrids as a new class of protoporphyrinogen oxidase inhibitors: synthesis, structure-activity relationship, and DFT calculations 期刊论文
New Journal of Chemistry, 2014, 卷号: 38, 期号: 9, 页码: 4510-4518
作者:  Wu, Qiong-You;  Jiang, Li-Li;  Yang, Sheng-Gang;  Zuo, Yang;  Wang, Zhi-Fang
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/23
Bioactive conformation analysis of cyclic imides as protoporphyrinogen oxidase inhibitor by combining DFT calculations, QSAR and molecular dynamic simulations 期刊论文
Bioorganic and Medicinal Chemistry, 2009, 卷号: 17, 期号: 14, 页码: 4935-4942
作者:  Zhang, Li;  Hao, Ge-Fei;  Tan, Yin;  Xi, Zhen*;  Huang, Ming-Zhi
收藏  |  浏览/下载:5/0  |  提交时间:2019/12/23
Rational design based on bioactive conformation analysis of pyrimidinylbenzoates as acetohydroxyacid synthase inhibitors by integrating molecular docking, CoMFA, CoMSIA, and DFT calculations 期刊论文
Journal of Chemical Information and Modeling, 2007, 卷号: 47, 期号: 6, 页码: 2335-2344
作者:  He, Yan-Zhen;  Li, Yuan-Xiang;  Zhu, Xiao-Lei;  Xi, Zhen*;  Niu, Congwei
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/23


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