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1. 金属有机化合物的合成机理及调控研究 2.新药物分子的开发设计、合成及结构性能研究 3.催化反应机理的理论研究 4.第IV主族元素饱和与不饱和烯类化合物环加成反应的理论研究

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Xiuhui Lu,* Yuehua Xu, Haibin Yu, and Weirong Wu,Ab Initio Study on the Mechanism of Forming a Germanic Hetero-Polycyclic Compound between Alkylidenegermylene and Ethylene, J. Phys. Chem. A; 2005, 109(31), 6970 – 6973. Xiuhui Lu,* Haibin Yu and Weirong Wu, A theoretical study on the mechanism of the cycloaddition reaction between dichloroalkylidenesilylene and ethylene, New Journal Chemistry, 2 0 0 5 , 2 9(2) , 332–335 Xiuhui Lu*, Weirong Wu, Haibin Yu, Xiuli Yang and Yuehua Xu, A theoretical study on the mechanism of cycloaddition reaction between vinylidene and acetone, Journal of Molecular Structure (Theochem), 2005 ,755, 39–44 LU, Xiu-Hui *; YU, Hai-Bin;WU, Wei-Rong, A theoretical study on the mechanism of the cycloaddition reaction between alkylidenestannylene and ethylene, Chin. J. Chem., 2005, 23(5), 496-500. LU Xiuhui*, WU Weirong, YU Haibin & XU Yuehua, Theoretical study on the mechanism of cycloaddition between dimethyl methylene carbene and acetone, Chinese Science Bulletin,2005, 50 (20), 2281-2287. LU, Xiu-Hui*; XU,Yue-Hua; YU, Hai-Bin; LIN, Huang. Theoretical Study on the Mechanism of the Cycloaddition Reaction between Dichloromethylene Germylene and Ethylene, Chin. J. Chem., 2005, 23(10),1339-1342. LU, Xiu-Hui *; YU, Hai-Bin; XU,Yue-Hua; WU,Wei-Rong;,A theoretical study on the mechanism of the cycloaddition reaction between alkylidenesilylene and ethylene,Chin. J. Chem., 2006, 24(3), 307-310. Xiuhui Lu *, Haibin Yu, Yuehua Xu, Pingping Xiang, Yandi Liu, Ab initio study on the mechanism of forming a silapolycyclic compound between silylidene and formaldehyde, Journal of Molecular Structure: THEOCHEM, 2006, 770, 185–191. XIU HUI LU*, HAI BIN YU, WEI RONG WU, YUE HUA XU,Theoretical Studies on Mechanisms of Cycloaddition Reaction between Difluoromethylene Carbene and Acetone,International Journal of Quantum Chemistry,2007, 107(2), 451-457. Xiuhui Lu *, Xin Che, Haibin Yu, Pingping Xiang, Yuehua Xu, Ab initio study on the mechanism of forming a silapolycyclic compound between methylenesilylene and ethene, Journal of Molecular Structure: THEOCHEM, 2007, 821, 53–57. XIUHUI LU*, HAIBIN YU, YUEHUA XU, PINGPING XIANG and XIN CHE,Theoretical study of the mechanism of cycloaddition reaction between dichloromethylene silylene and formaldehyde,MOLECULAR PHYSICS, 2007, 105(13-14), 1961-1969. Xiuhui Lu *, Pingping Xiang, Rong Wei, Xin Che,Theoretical study on mechanism of cycloaddition reaction between dimethyl methylene carbene and ethylene ,Journal of Molecular Structure: THEOCHEM, 2008, 853, 82–88. XIU HUI LU, YUE HUA XU, PING PING XIANG, XIN CHE,Theoretical Studies of Mechanism of Cycloaddition Reaction Between Germylidene and Formaldehyde,International Journal of Quantum Chemistry, 2008, 108(1), 75-83. XIU HUI LU*, HAI BIN YU, XIN CHE, PING PING XIANG, Theoretical Study of Mechanism of Cycloaddition Reaction Between Dimethylmethylenesilylene and Formaldehyde, International Journal of Quantum Chemistry, 2008, 108(6), 1114–1122. Xiuhui Lu *, Pingping Xiang, Xin Che, Xiuli Yang, Theoretical study on the mechanism of cycloaddition reaction between silylene carbene and formaldehyde, Journal of Molecular Structure: THEOCHEM, 2008, 854,10–17. Xiu-Hui Lu *, Yue-Hua Xu, Le-Yi Shi, Jun-Feng Han, Zhen-Xia Lian, Theoretical study on the mechanism of cycloaddition reaction between dimethyl germylidene and formaldehyde, Journal of Organometallic Chemistry, 2009, 694(25), 4062–4068. XIU HUI LU,* WEI RONG WU, XIN CHE, JUN FENG HAN, LE YI SHI, Theoretical Study of Mechanism of Cycloaddition Reaction Between Dimethylmethylene Carbene and Formaldehyde,International Journal of Quantum Chemistry,2010.110(6), 1273-1278 Xiuhui Lu, Junfeng Han, Yuehua Xu, Leyi Shi, Zhenxia Lian,THEORETICAL STUDY OF THE MECHANISM OF CYCLOADDITION REACTION BETWEEN DICHLOROGERMYLIDENE AND ACETALDEHYDE, Russian Journal of Physical Chemistry A, 2010, 84(6), 1090–1096. Xiu-Hui Lu *, Xin Che, Jun-Feng Han, Le-Yi Shi, Zhen-Xia Lian,Ab initio study of mechanism of forming germanic bis-heterocyclic compound between germylene carbene and acetone,Journal of Organometallic Chemistry, 2010, 695, 524–529. Xiu-hui Lu*; Ping-ping Xiang; Le-yi Shi; Jun-feng Han; Zhen-Xia Lian,Density Functional Theory Study of Mechanism of Cycloaddition Reaction Between Dimethyl-Silylene Carbene and Acetone, Chin. J. Chem. Phys., 2010, 23(2),169-174. Xiu-hui Lu*; Jun-feng Han; Hai-bin Yu; Zhen-xia Lian, Ab initio Study on Mechanism of Forming a Silicic Bis-Heterocyclic Compound Between Dimethylmethylenesilylene and Ethene,Chin. J. Chem. Phys., 2010, 23(5), 533-537. Xiu-hui Lu*; Yong-qing Li; Yue-hua Xu; Jun-feng Han; Le-yi Shi, Theoretical Study on Mechanism of Cycloadditional Reaction Between Dichloro-Germylidene and Formaldehyde,Chin. J. Chem. Phys., 2010, 23(3), 287-292. Lu, Xiuhui*; Xu, Yuehua; Lian, Zhenxia; Li, Yongqing, Ab Initio Study of Mechanism of Forming a Germanic Hetero-Polycyclic Compound Between Germylidene and Acetone,Chin. J. Chem., 2010, 28(8), 1379—1384. Lu, Xiuhui*, Che, Xin, Shi, Leyi, Han, Junfeng, Ab initio Study of Mechanism of Forming Germanic Hetero-Polycyclic Compound between Germylene Carbene and Formaldehyde, Chin. J. Chem., 2010, 28(10), 1001—1003. Xiu-hui Lu*; Xin Che; Zhen-xia Lian; Yong-qing Li, Ab initio Study of Mechanism of Forming Germanic Bis-Heterocyclic Compound Between Dichloro-Germylene Carbene and Formaldehyde, Chin. J. Chem. Phys., 2010, 23(4), 402—408.

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