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催化反应机理的理论模拟

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[1] Zhiyong Jiang*, Jun Zhou, Chaoguan Huang, Qiufen Hu, Xiangzhong Huang, Wei Wang, Lizhu Zhang, Ganpeng Li, Futing Xia*. Two novel antiviral terpenoids from the cultured Perovskia atriplicifolia[J]. Tetrahedron, 2015, 71: 3844-3849 [2] Zhiyong Jiang,* Zhongqiu Li, Chaoguan Huang, Jun Zhou, Qiufen Hu, Wenxing Liu,Xiangzhong Huang, Wei Wang, Lizhu Zhang, Futing Xia. Abietane Diterpenoids from Perovskia atriplicifolia and Their Anti-HBV Activities Bull[J]. Korean Chem. Soc. 2015, 36: 623–627 [3] Futing Xia, Qiulin Zhang*, Kai Tian, Hua Zhu. Theoretical Studies on the Effect of Sulfur Substitution for the Methanolysis of Cyclic and Acyclic Phosphate Esters[J]. Computational and Theoretical Chemistry, 2014, 1048: 35-45 [4] Futing Xia*, Wenyi Li, Zhi Yang, Hua Zhu. Density Functional Calculations on the Alkaline Hydrolysis of Phosphate Triesters[J]. Advanced Materials Research, 2014, 900: 327-332, [5] 夏福婷,朱华. 二氧化碳与环氧化物环加成反应机理的理论研究. 第十二届全国量子化学会议论文集, 2014: 472, [6] Futing Xia*, Hua Zhu*. Density functional calculations on alcoholysis and thiolysis of phosphate triesters: Stepwise or concerted?[J]. Computational and Theoretical Chemistry, 2013, 1017: 60-71 [7] 夏福婷,田凯,朱华. 磷酸三酯碱性水解反应机理的密度泛函理论研究. 2013年“第三届民族药资源化学应用研究学术研讨会”会议论文摘要集, 2013: 54, [8] Futing Xia, Hua Zhu*. Density Functional Calculations on the Effect of Sulfur Substitution for 2-Hydroxypropyl-p-Nitrophenyl Phosphate: C–O vs. P–O Bond Cleavage[J]. Bioorganic Chemistry, 2012, 40: 99-107 [9] Futing Xia, Hua Zhu*. Effect of Sulfur Substitution for Methanolysis of Paraoxon: C–O vs. P–O Bond Cleavage from Density-Functional Theory[J]. Computational and Theoretical Chemistry, 2012, 982: 8-16 [10] Futing Xia, Hua Zhu*. Alkaline Hydrolysis of Ethylene Phosphate: An Ab Initio Study by Supermolecular Model and Polarizable Continuum Approach[J]. Journal of Computational Chemistry, 2011, 32: 2545-2554 [11] Erqiang Jiao, Futing Xia, Hua Zhu*.Density functional study for the C–F bond activation of the reaction of [Pt(PCy3)2] with C6F6[J]. Computational and Theoretical Chemistry, 2011, 965: 92-100

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