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1、Ming Li,Jinsheng Zhang, Wei Shen, Qingxi Meng, Quantum Chemical Study on Reaction of Acetaldehyde with Hydroxyl Radical, Chinese Journal of Chemistry, 2004, 22, 792–797
2、Qingxi Meng, Ming Li,Jinsheng Zhang, The computational study on the mechanism of rhodium(I)-catalyzed asymmetric carbonylative [4+1] cycloaddition with (R,R)–Me–DuPHOS-type ligand. A DFT study, Journal of Molecular Structure (Theochem), 2005, 726, 47–54
3、张金生，孟庆喜，李明，FC(O)O自由基与NO2反应的量子化学研究，化学学报，2005，第63卷，第8期，686–692.
4、Qingxi Meng, Ming Li,Jinsheng Zhang, Density functional computations of enantioselective alkynylation of aldehyde catalyzed by chiral zinc(II)-complexes, Journal of Molecular Modeling, 2006, 12, 494–502
5、Qingxi Meng, Ming Li,Jinsheng Zhang, Wei Shen, Density Function Studies on the PtCl2-Catalyzed Asymmetric Cycloisomerization Reaction of Hydroxylated Enynes, International Journal of Quantum Chemistry, 2006, 7(106), 1569–1579
6、Zhang Jin-sheng, Li Ming, HCO自由基与NO反应的量子化学研究，四川大学学报（自然科学版），2006，第43卷，第6期，1341–1346
7、Wei Shen, Ming Li, Rongxing He,Jinsheng Zhang, Wei Lei, The electronic and structural properties of nonclassical bicyclic thiophene: Monomer, oligomer and polymer, Polymer, 2007, 13(48), 3912–3918
8、Jinsheng Zhang, Wei Shen, Ming Li, DFT Study on the SnII-Catalyzed Diastereoselective Synthesis of Tetrahydrofuran from D-A Cyclopropane and Benzaldehyde, European Journal of Organic Chemistry, 2007, 29, 4855–4866
9、Ruiqiu Liu, Wei Shen,Jinsheng Zhang, Ming Li, Adsorption and dissociation of ammonia on Au(1 1 1) surface: A density functional theory study, Applied Surface Science, 2008, 18(254), 5706–5710
10、Youqing Yu, Wei Shen,Jinsheng Zhang, Rongxing He and Ming Li, Theoretical investigation of direct amination of β-ketoesters catalyzed by copper(II)-bisoxazoline(BOX), Journal of Molecular Modeling, 2008, 3(14), 237–247
11、Jinsheng Zhang, Wei Shen, Ming Li, Gold-Catalyzed Cyclization of 1-(1-Alkynyl)- Cyclopropyl Ketones to Yield Highly Substituted Furans: A DFT Study, Organometallics, 2009, 28, 3129–3139
12、Jinsheng Zhang, Wei Shen, Ruiqiu Liu, Youqing Yu, Hailing Wu, Ming Li, DFT Study on RuII-catalyzed Cyclization of Terminal Alkynals to Cycloalkenes, International Journal of Quantum Chemistry, 2009, 109(4), 679–687.
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