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1. 不对称催化机理的理论研究 2. 计算机辅助天然化合物绝对构型的确定

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Cuihuan Geng, Rongxiu Zhu,* Mingxia Li, Tongxiang Lu, Steven E. Wheeler, and Chengbu Liu*.Revised Role of Selectfluor in Homogeneous Au-Catalyzed Oxidative C O Bond Formations Ke Yang, Si Zhe Li, Yin Hu Wang, Wen Zhen Zhang, Zhan Hui, Xiang Yong Zhou, Rong Xiu Zhu*, Jun Luo* and Qian Wan*. Enantioselective recognition of an inherently chiral calix4 arene crown6 carboxylic acid cone conformer towards chiral aminoalcohols.RSC Adv.2014.4.6517-6536. Wei Zhong Liu, Li Ying Ma, De Sheng Liu, Yu Ling Huang, Chun Hua Wang, Shou Sen Shi, Xiao Hong Pan,* Xiao Dong Song, Rong Xiu Zhu*. Peniciketals A-C, New spiroketals from Saline Soil Derived Penicillium raistrichii. Org.Lett.2014.16.90-93 Si Zhe Li, Ke Yang, Hong Bing Liu, Yu Xiang Xia, Rong Xiu Zhu*, Jun Luo*, Qian Wan*.Inherently chiral Biscalixarene cone-cone conformers consisting of calix4 arene and calix5 arene subunits. Tetrahedron Lett.2013.54.5901-5906. Ping Li Lv,Rong Xiu Zhu*, Tong Xiang Lu, Steven E Wheeler,Dong Ju Zhang, Ruo Xi Wang, Cheng Bu Liu*.Theoretical study on the origin of enantioselectivity in the primary amine-Bronsted acid catalyzed epoxidation of cyclic enones. Tetrahedron Asymmetry.2013.24.1598-1604. Tongxiang Lu, Rongxiu Zhu, Yi An, and Steven E Wheeler. Origin of Enantioselectivity in the Propargylation of Aromatic Aldehydes Catalyzed by Helical N-Oxides. J. Am. Chem. Soc., 2012, 134, 3095−3102. Ping-Li Lv, Rong-Xiu Zhu*, Dong-Ju Zhang, Chong-Gang Duan, and Cheng-Bu Liu.* Theoretical Investigation on the Chiral Diamine-Catalyzed Epoxidation of Cyclic Enones: Mechanism and Effects of Cocatalyst. J. Phys. Chem. A, 2012, 116, 1251–1260. Gang Li, Haiying Wang, Rongxiu Zhu, Lingmei Sun, Lining Wang, Ming Li, Yaoyao Li, Yongqing Liu, Zuntian Zhao, and Hongxiang Lou. Phaeosphaerins A–F, Cytotoxic Perylenequinones from an Endolichenic Fungus, Phaeosphaeria sp. J. Nat. Prod., 2012, 75, 142-147. Chun-Feng Xie, Rong-Xiu Zhu, Jian-Bo Qu, Li-Ning Wang, Dong-Xiao Guo, Wen-Tao Yu, Cheng-Bu Liu, Hong-Xiang Lou. Stereochemical Investigation of Macrocyclic Bisbibenzyls with a Stereogenic Center at One of the Ethylene Bridges. Helvetica Chimica Acta 2011, 94, 2077–2086. Rongxiu Zhu, Dongju Zhang, Jinxin Guo, Jinglin Mu, Chonggang Duan, and Chengbu Liu. The Mechanism Study of the Gold-Catalyzed Cycloisomerization of α-aminoallenes: Oxidation State of Active Species and Influence of Counterion. J. Phys. Chem. A 2010, 114, 4689-4696 Tao Yuan, Rongxiu Zhu, Hua Zhang, Oluwatoyin A. Odeku , Shengping, Shanggao, Jianmin Yue. Structure Determination of Grandifotane A from Khaya grandifoliola by NMR, X-ray Diffraction, and ECD Calculation. Org. Lett. 2010, 12(2), 252-255. (Co-first authors). Dong-Xiao Guo; Rong-Xiu Zhu; Xiao-Ning Wang; Li-Ning Wang; Shu-Qi Wang; Zhao-Min Lin; Hong-Xiang Lou. Scaparvin A, a novel caged cis-clerodane with an unprecedented C-6/C-11 bond, and related diterpenoids from the liverwort Scapania parva. Organic letters 2010;12(19):4404-4407. Gang Yang, Zhiwei Yang, Lijun Zhou, Rongxiu Zhu, and Chengbu Liu. A revisit to proline catalyzed aldol reaction: Interactions with acetone and catalytic mechanisms. Journal of Molecular Catalysis A: Chemical. 2010, 316, 112-117. Rongxiu Zhu, Ruo-Xi Wang, Dong-Ju Zhang, and Cheng-Bu Liu. A Density Functional Theory Study on the Ring-Opening Polymerization of D-Lactide Catalyzed by a Bifunctional-Thiourea Catalyst. Aust. J. Chem. 2009, 62, 157-164. Yingying Wang, Dongju Zhang, Rongxiu Zhu, Changqiao Zhang, and Chengbu Liu. A Density Functional Theory Study of the Water-Gas Shift Reaction Promoted by Neutral, Anionic, and Cationic Gold Dimers. J. Phys. Chem. C 2009, 113, 6215–6220. Gang Yang, Yuangang Zu, Yujie Fu, Lijun Zhou, Rongxiu Zhu, and Chengbu Liu. Assembly and Stabilization of Multi-Amino Acid Zwitterions by the Zn(II) Ion: A Computational Exploration. J. Phys. Chem. B 2009, 113, 4899–4906. Gang Yang, Lijun Zhou, Yuangang Zu, Yujie Fu, Rongxiu Zhu, and Chengbu Liu. Effects of side chains in gas-phase amino acids: Conformational analysis and relative stabilities. Journal of Molecular Structure: THEOCHEM 2009, 901, 81-87. Rongxiu Zhu, Ruoxi Wang, Dongju Zhang, and Chengbu Liu. Theoretical study on the ring-opening polymerization of D-lactide catalyzed by bifunctional thiourea catalyst ACTA CHIMICA SINICA. 2008, 66, 885-889. Liu Li, Zhu Rongxiu, Zhang Dongju, Liu Chengbu Computational Study of the Mechanisms for Methanol-assisted Ring-opening Polymerization of Lactide. Chemical Journal of Chinese Universities 2008, 29, 2420-2424. Dongju Zhang, Guixiu Wang, Rongxiu Zhu. Insight into the mechanism of the Michael addition of malononitrile to alpha,beta-unsaturated imides catalyzed by bifunctional thiourea catalysts. Tetrahedron: Asymmetry, 2008, 19, 568-576. Rongxiu Zhu, Dongju Zhang, Jian Wu, Chengbu Liu. Theoretical study on the enantioselective a-amination reaction of 1,3-dicarbonyl compounds catalyzed by a bifunctional-urea. Tetrahedron: Asymmetry, 2007, 18, 1655-1662. Rongxiu Zhu, Dongju Zhang, Jian Wu, Chengbu Liu. A DFT study on the mechanism and regioselectivity of the tandem O-nitroso aldol/Michael reaction of nitrosobenzene and cyclohexenone Journal of Molecular Structure: THEOCHEM 2007, 815, 105-109. Ruoxi Wang, Dongju Zhang, Rongxiu Zhu, Chengbu Liu. Density functional theory study of BnC (n=1-7) clusters Journal of Molecular Structure: THEOCHEM 2007, 817, 119-123. Ruoxi Wang, Dongju Zhang, Rongxiu Zhu, Chengbu Liu. Theoretical study of boron carbon clusters BnC2 (n=1 similar to 6) ACTA CHIMICA SINICA 2007, 65, 2092-2096. Rongxiu Zhu, Dongju Zhang, Jian Wu, Chengbu Liu. Theoretical study of the bifunctional urea catalyzed Michael reaction of 1,3-dicarbonyl compounds and nitroolefins Tetrahedron-asymmetry 2006, 17, 1611-1616. Dongju Zhang, Rongxiu Zhu, Chengbu Liu. Density functional theory study on the geometrical and electronic structures of a new thinest boron nanotubes J. Mater. Chem. 2006, 16, 2429-2433. Guanlun Guo, Rongxiu Zhu, Dongju Zhang, Chengbu Liu. Theoretical study on the reactions of two-membered Si-O rings with CFn (n=1 similar to 3) radicals. ACTA CHIMICA SINICA 2006, 64, 2046-2050. Guixiu Wang, Rongxiu Zhu, Dongju Zhang, Chengbu Liu. Theoretical study of the dark-oxidation reaction mechanisms for organic polymers. Chem. Phys. Lett. 2006, 427, 35-40. Guixiu Wang, Rongxiu Zhu, Dongju Zhang, Chengbu Liu. Theoretical study on the dark oxidation reaction mechanism of ethers. Chinese J. Struct. Chem. 2006, 11, 1402.

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