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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：93/0  |  提交时间：2019/11/26
Au(I)-catalysis  [4+1] annulation  1,4-diyn-3-ols  Selectivity  DFT  
Theoretical studies on the common catalytic mechanism of transketolase by using simplified models 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 卷号: 39, 页码: 23-28
作者:  Sheng, Xiang;  Liu, Yongjun;  Liu, Chengbu
Adobe PDF(955Kb)  |  收藏  |  浏览/下载：494/117  |  提交时间：2014/05/09
Transketolase  Density Functional Theory (Dft) Method  Reaction Mechanism  Thdp-dependent Enzyme  2-carbon Fragment Transfer  
Theoretical study on adsorption of Na+ and Na+(H2O)(n) (n=1-6) on a clean Si(111) surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 卷号: 111, 期号: 8, 页码: 3427-3432
作者:  Liu, Yongjun;  Wang, Zhiguo;  Suo, Yourui
浏览  |  Adobe PDF(270Kb)  |  收藏  |  浏览/下载：1406/219  |  提交时间：2009/12/08
Optical 2nd-harmonic Generation  Room-temperature Adsorption  Set Superposition Error  Ab-initio  Alkali-metals  Electronic-properties  Clusters  Complexes  Sodium  Level