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Reaction Mechanism and Regioselectivity of Cu(I)-Catalyzed Hydrocarboxylation of 1-Phenyl-propyne with Carbon Dioxide 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2015, 卷号: 31, 期号: 2, 页码: 237-244
作者:  Zhao Yi;  Liu Yong-Jun;  Zhuo Shu-Ping;  Liu, YJ (reprint author), Chinese Acad Sci, Northwest Inst Plateau Biol, Xining 810001, Peoples R China.
收藏  |  浏览/下载：168/0  |  提交时间：2015/12/17
Co2  1-phenyl-propyne  Density Functional Theory  Hydrocarboxylation  Regioselectivity  
Theoretical Investigation on the Dissociation of (R)-Benzoin Catalyzed by Benzaldehyde Lyase 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2014, 卷号: 114, 期号: 6, 页码: 375-382
作者:  Zhang, Jing;  Sheng, Xiang;  Hou, QianQian;  Liu, Yongjun
浏览  |  Adobe PDF(858Kb)  |  收藏  |  浏览/下载：403/104  |  提交时间：2014/12/19
Benzaldehyde Lyase  Density Functional Theory Method  Reaction Mechanism  Thdp-dependent Enzyme  R-benzoin  
A Density Functional Theory Study on the Catalytic Mechanism of Hydroxycinnamoyl-CoA Hydratase-Lyase 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2014, 卷号: 114, 期号: 4, 页码: 249-254
作者:  Ma, Guangcai;  Li, Yulin;  Wei, Lixin;  Liu, Yongjun;  Liu, Chengbu
浏览  |  Adobe PDF(708Kb)  |  收藏  |  浏览/下载：370/101  |  提交时间：2014/12/19
Hydroxycinnamoyl-coa Hydratase-lyase  Density Functional Theory Method  Catalytic Mechanism  Substrate Specificity  
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：546/146  |  提交时间：2014/05/09
Phosphoketolase  Density Functional Theory (Dft) Method  Reaction Mechanism  Thdp-dependent Enzyme  Dehydration  Keto-enol Tautomerism  
Theoretical study on the proton shuttle mechanism of saccharopine dehydrogenase 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 卷号: 44, 页码: 17-25
作者:  Sheng, Xiang;  Gao, Jun;  Liu, Yongjun;  Liu, Chengbu
Adobe PDF(2598Kb)  |  收藏  |  浏览/下载：945/139  |  提交时间：2014/05/09
Saccharopine Dehydrogenase  L-lysine Biosynthesis  Density Functional Theory (Dft) Method  Proton Shuttle  Reaction Mechanism  
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：496/118  |  提交时间：2014/05/09
Transketolase  Density Functional Theory (Dft) Method  Reaction Mechanism  Thdp-dependent Enzyme  2-carbon Fragment Transfer  
Effect of Hydroxylation on Structures and Proton Transfer of A-T Base Pairs 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2010, 卷号: 26, 期号: 12, 页码: 3329-3336
作者:  Shi Jun-You;  Dong Li-Hua;  Liu Yong-Jun
收藏  |  浏览/下载：501/0  |  提交时间：2011/12/13
Density Functional Theory  Base Pair  Hydroxylation  Proton Transfer  Singly Occupied Molecular Orbital  
Interaction Between RNA Segment (Adenine-Uracil) and Model of Protein Unit (Formamide): A Density-Functional Theory Study 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2010, 卷号: 110, 期号: 7, 页码: 1425-1431
作者:  Ma, Ke-Sheng;  You, Jin-Mao;  Zhou, Zheng-Yu;  Su, Chun-Fang;  Wang, Xiang-Xiang
收藏  |  浏览/下载：762/0  |  提交时间：2011/12/13
Hydrogen Bonding  Density-functional Theory  Formamide  Adenine-uracil