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Theoretical studies of traditional and halogen-shared halogen bonds: the doped all-metal aromatic clusters MAl3 (-) (M = Si, Ge, Sn, Pb) as halogen bond acceptors 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2015, 卷号: 134, 期号: 12
作者:  Cheng, Na;  Liu, Yongjun;  Zhang, Changqiao
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Halogen Bonds  Hydrogen Bonds  Mp2  Aim Analysis  Aromatic Clusters Mal3-  
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015, 卷号: 61, 页码: 21-29
作者:  Zhang, Shujun;  Ma, Guangcai;  Liu, Yongjun;  Ling, Baoping
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Ligi  2-pyrone-4  6-dicarboxylate Lactonase  Qm/mm  2-pyrone-4  Hydrolysis Mechanism  6-dicarboxylate (Pdc)  
Ring Contraction Catalyzed by the Metal-Dependent Radical SAM Enzyme: 7-Carboxy-7-deazaguanine Synthase from B. multivorans. Theoretical Insights into the Reaction Mechanism and the Influence of Metal Ions 期刊论文
ACS CATALYSIS, 2015, 卷号: 5, 期号: 7, 页码: 3953-3965
作者:  Zhu, Wenyou;  Liu, Yongjun
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7-carboxy-7-deazaguanine Synthase (Quee)  Reaction Mechanism  7-carboxy-7-deazaguanine (Cdg)  Qm/mm  6-carboxy-5  Sam Radical Enzyme  6  7  8-tetrahydropterin (Cph4)  
铜催化CO_2和1-苯基丙炔的氢羧基化反应机理及区域选择性 期刊论文
物理化学学报, 2015, 期号: 2, 页码: 237-244
作者:  赵义;  刘永军;  禚淑萍
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Co_2  1-苯基丙炔  密度泛函理论  氢羧基化  区域选择性  
A QM/MM study of the catalytic mechanism of alpha-1,4-glucan lyase from the red seaweed Gracilariopsis lemaneiformis (vol 4, pg 54398, 2014) 期刊论文
RSC ADVANCES, 2015, 卷号: 5, 期号: 11, 页码: 8507-8508
作者:  Su, Hao;  Dong, Lihua;  Liu, Yongjun;  Liu, YJ (reprint author), Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Shandong, Peoples R China.
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