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Computational studies on the catalytic mechanism of phosphoketolase 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2013, 卷号: 1025, 页码: 1-7
作者:  Zhang, Jing;  Liu, Yongjun;  Liu, YJ (reprint author), Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Shandong, Peoples R China.
Adobe PDF(1726Kb)  |  收藏  |  浏览/下载：573/156  |  提交时间：2014/05/09
Phosphoketolase  Density Functional Theory (Dft) Method  Reaction Mechanism  Thdp-dependent Enzyme  Dehydration  Keto-enol Tautomerism  
The degree of proton transfer for XH center dot center dot center dot NH3 (X = F, Br, HS, and HCOO) heterodimers upon attachment of an excess electron 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2012, 卷号: 983, 页码: 95-100
作者:  Dong, Lihua;  Wang, Jinhu
浏览  |  Adobe PDF(634Kb)  |  收藏  |  浏览/下载：1002/209  |  提交时间：2013/03/15
Excess Electron  Barrier-free Proton Transfer (Bfpt)  Vertical Detachment Energy (Vde)  Potential Energy Surfaces (Pess)