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Mechanistic Investigation into the Regio-Controllable Hydroallylations of Alkynes with Allylborons under Pd-Based Synergetic Catalyses 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2023, 卷号: 88, 期号: 7, 页码: 4536
作者:  Liu, Lingjun;  Liu, Yuxia;  Wu, Qiao;  Zhao, Xufang;  Li, Yulin;  Chen, Guang;  Bi, Siwei
收藏  |  浏览/下载:24/0  |  提交时间:2023/12/01
Theoretical evaluation of the carbene-based site-selectivity in gold(iii)-catalyzed annulations of alkynes with anthranils 期刊论文
CHEMICAL COMMUNICATIONS, 2021, 卷号: 57, 期号: 12
作者:  Wang, Kaifeng;  Wu, Qiao;  Bi, Siwei;  Liu, Lingjun;  Chen, Guang;  Li, Yulin;  James, Tony D.;  Liu, Yuxia
收藏  |  浏览/下载:182/0  |  提交时间:2021/11/18
Theoretical elucidation of the multi-functional synthetic methodology for switchable Ni(0)-catalyzed C-H allylations, alkenylations and dienylations with allenes 期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2020, 卷号: 10, 期号: 13
作者:  Liu, Yuxia;  Wang, Kaifeng;  Ling, Baoping;  Chen, Guang;  Li, Yulin;  Liu, Lingjun;  Bi, Siwei
收藏  |  浏览/下载:59/0  |  提交时间:2020/11/25
Mechanistic insights into the origin of substituent-directed product Z-E selectivity for gold-catalyzed [4+1]-annulations of 1,4-diyn-3-ols with isoxazoles: A DFT study 期刊论文
MOLECULAR CATALYSIS, 2020, 卷号: 480
作者:  Wang, Kaifeng;  Liu, Yuxia;  Wu, Qiao;  Liu, Lingjun;  Li, Yulin;  James, Tony D.;  Chen, Guang;  Bi, Siwei
收藏  |  浏览/下载:95/0  |  提交时间:2019/11/26
Au(I)-catalysis  [4+1] annulation  1,4-diyn-3-ols  Selectivity  DFT  
Mechanistic Investigation of Au(III)-Catalyzed Cycloisomerizations of N-Propargylcarboxamides 期刊论文
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2019, 卷号: 2019, 期号: 40
作者:  Liu, Yuxia;  Liu, Peng;  Ling, Baoping;  Chen, Guang;  Chen, Tao;  Li, Yulin;  Bi, Siwei;  Zhang, Dongju
收藏  |  浏览/下载:55/0  |  提交时间:2019/11/26
AuCl3 catalysis  Cycloisomerization  N-(propargyl)benzamide  Mechanism  Density functional calculations  
Theoretical investigation on the regioselectivity of Ni(COD)(2)-catalyzed [2+2+2] cycloaddition of unsymmetric diynes and CO2 期刊论文
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2014, 卷号: 758, 页码: 45-54
作者:  Zhao, Yi;  Liu, Yuxia;  Bi, Siwei;  Liu, Yongjun
浏览  |  Adobe PDF(3229Kb)  |  收藏  |  浏览/下载:350/55  |  提交时间:2014/12/19
Cycloaddition  Diyne  Pyrone  Carbon Dioxide  Dft  
Theoretical study on copper-catalyzed reaction of hydrosilane, alkyne and carbon dioxide: A hydrocarboxylation or a hydrosilylation process ? 期刊论文
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2013, 卷号: 745, 页码: 166-172
作者:  Zhao, Yi;  Liu, Yuxia;  Bi, Siwei;  Liu, Yongjun;  Bi, SW (reprint author), Qufu Normal Univ, Sch Chem & Chem Engn, Qufu 273165, Peoples R China.
Adobe PDF(1653Kb)  |  收藏  |  浏览/下载:733/26  |  提交时间:2014/05/09
Hydrocarboxylation  Hydrosilylation  Sigma Bond Metathesis  Insertion  Carbon Dioxide  Dft  
Molecular dynamics simulations of the coenzyme induced conformational changes of Mycobacterium tuberculosis L-alanine dehydrogenase 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2012, 卷号: 35, 页码: 1-10
作者:  Ling, Baoping;  Sun, Min;  Bi, Siwei;  Jing, Zhihong;  Liu, Yongjun
浏览  |  Adobe PDF(3496Kb)  |  收藏  |  浏览/下载:732/155  |  提交时间:2013/03/15
L-alanine Dehydrogenase  Mycobacterium Tuberculosis  Principle Component Analysis  Free Energy Landscape  Molecular Dynamics Simulations