主要从事杂环化合物的激发态化学、氨基酸及核苷衍生物合成与生物活性、有机化合物结构及反应机理的计算化学等方面的理论研究，光功能聚合物、消毒剂、医药中间体、香料等的合成工艺与产业化方面的应用研究。主持国家自然科学基金、天津市自然科学基金、教育部骨干教师基金和横向研究课题10多项；
张文勤
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1、 Synthesis and characterization of novel phenolphthalein immobilized halochromic fiber,
Lianhai Zhang, Zhiwei Li, Ruixiang Chang, Yu Chen, Wenqin Zhang, Reactive & Functional Polymers 2009, 69 (4) , 234-20.
2、 Effective Cd2+ chelating fiber based on polyacrylonitrile，Lianhai Zhang, Xinsong Zhang, Peipei Li, Wenqin Zhang , Reactive & Functional Polymers 20
09, 69 (1) , 48–54.
3、 Water Tape Assembled in 1,10-Bis(2-pyrazinylcarbonyl)- 1,4,7,10-tetraazadecane via H-Bonding and - Stacking, Xue-Fang Shi, Wen-Qin Zhang, Crystal Growth & Design, 2007, 7(4): 595 – 597.
4、 Photochemistry of N-alkylsuccinimide in methanol and ethanol: An experimental and calculated investigation, Guochun Ma, Huimin Liu, Wenqin Zhang, J. Photochem. Photobiol. A:Chem., 2007, 187(2-3): 377-383.
5、 The new helical zigzag chain {[Ag(Pepy)(NO3)]}∞ and mononuclear [HPepy(FeCl4)] with 3D network based on hydrogen bonds as well as π–π interactions, Xue-Fang Shi, Zhi-Yong Xing, Li Wu and Wen-Qin Zhang, Inorg. Chim. Acta, 2006, 359 (2): 603-608.
6、 The nonmetallicity of molybdenum clusters, Zhang WQ*, Ran XR, Zhao HT, J. Chem. Phys., 2004, 121(16): 7717-7724.
7、 The simple cubic structure of ruthenium clusters, Zhang WQ, Zhao HT, Wang LC, J. Phys. Chem., B. 2004, 108 (7): 2140-2147.
8、 The simple cubic structure of Ir clusters and the element effect on cluster structures, Zhang WQ, Xiao L, Hirata Y, Pawluk T, Wang LC, Chem. Phys. Lett., 2004, 383 (1-2): 67-71.
9、 Structure effects on the energetic, electronic, and magnetic properties of Palladium nanoparticles, Zhang WQ, Ge Q, Wang L, J. Chem. Phys., 2003, 118(13), 5793.
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