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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：354/55  |  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：738/26  |  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：741/158  |  提交时间：2013/03/15
L-alanine Dehydrogenase  Mycobacterium Tuberculosis  Principle Component Analysis  Free Energy Landscape  Molecular Dynamics Simulations