计算化学

化学反应机理

有机分子晶体结构

09/2000-07/2004              博士，南开大学，计算机化学，化学信息学，化学软件开发

09/1996-07/2000              硕士，南开大学，有机小分子模拟，量子化学计算，化学动力学模拟，构效关系，分子识别

09/1989-07/1993              学士，南开大学，电感耦合等离子体原子发射光谱

07/2014-今，南开大学副教授，金属有机催化反应机理，有机分子光电性质

07/2012-07/2014，普渡大学访问学者，有机分子晶体内分子间相互作用

12/2003-07/2012，南开大学副教授，均相化学反应机理

09/1993-12/2003，南开大学助教，化学数据库与化学软件开发，分子模拟，构效关系，有机化学多媒体教学

07/2014-今，南开大学副教授，金属有机催化反应机理，有机分子光电性质

07/2012-07/2014，普渡大学访问学者，有机分子晶体内分子间相互作用

12/2003-07/2012，南开大学副教授，均相化学反应机理

09/1993-12/2003，南开大学助教，化学数据库与化学软件开发，分子模拟，构效关系，有机化学多媒体教学

1.         Haichen Nie, Yongchao Su, Mingtao Zhang, Yang Song, Anthony Leone, Lynne S Taylor, Patrick J Marsac, Tonglei Li, Stephen R Byrn, Solid-State Spectroscopic Investigation of Molecular Interactions between Clofazimine and Hypromellose Phthalate in Amorphous Solid Dispersions, Molecular pharmaceutics, 10/2016, 13 (11), DOI: 10.1021/acs.molpharmaceut.6b00740

2.         Sihui Long, Mingtao Zhang, Panpan Zhou, Faquan Yu, Sean Parkin, Tonglei Li: Tautomeric Polymorphism of 4-Hydroxynicotinic Acid. Crystal Growth & Design 04/2016; 16(5). DOI:10.1021/acs.cgd.5b01639

3.         Yanhong Lu, Guankui Long, Long Zhang, Tengfei Zhang, Mingtao Zhang, Fan Zhang, Yang Yang, Yanfeng Ma, Yongsheng Chen: What are the practical limits for the specific surface area and capacitance of bulk sp2 carbon materials? Science China-Chemistry 10/2015; 59(2). DOI:10.1007/s11426-015-5474-y

4.         Haichen Nie, Huaping Mo, Mingtao Zhang, Yang Song, Ke Fang, Lynne S Taylor, Tonglei Li, Stephen R Byrn: Investigating the Interaction Pattern and Structural Elements of a Drug-Polymer Complex at the Molecular Level. Molecular Pharmaceutics 05/2015; 12(7). DOI:10.1021/acs.molpharmaceut.5b00162

5.         Guankui Long, Xuan Yang, wangqiao Chen, Mingtao Zhang, Yang Zhao, Yongsheng Chen, qichun Zhang: "Doping" Pentacene with sp2-phosphorus Atoms: Towards High Performance Ambipolar Semiconductors. Physical Chemistry Chemical Physics 01/2015; 18(4). DOI:10.1039/C5CP06200D

6.         Xi Lu, Qian Liu, Xiaoyin Wang, Runjiao Cheng, Mingtao Zhang, Xiaomin Sun: Density Functional Investigations on Catalytic Cycle of Hydrogenation of Aldehydes Catalyzed by an Enhanced Ruthenium Complex: An Alcohol-bridge Participated Autocatalysis Process. RSC Advances 11/2014; 5(4). DOI:10.1039/C4RA12466A

7.         H. L¨¹, T. Liu, M. Zhang, J. Liu, H. Sun: Synthesis of eta(6)-[Tris(trimethylsilyl)phenylsilane] tricarbonylchromium Complexes and Theoretical Studies on the Possible Interaction of Intermolecular Si-Si Bonds and Chromium Center. Chemical Journal of Chinese Universities -Chinese Edition- 11/2014; 35(11):2341-2345. DOI:10.7503/cjcu20140252

8.         Xi Lu, Runjiao Cheng, Nicholas Turner, Qian Liu, Mingtao Zhang, Xiaomin Sun: High Chemoselectivity of an Advanced Iron Catalyst for the Hydrogenation of Aldehydes with Isolated C=C Bond: A Computational Study. The Journal of Organic Chemistry 09/2014; 79(19). DOI:10.1021/jo501946k

9.         Tingting Liu, Xi Lu, Mingtao Zhang: Theoretical exploration of stereochemical nonrigidity for R f Co(PF3) x (CO)4?x (R f =CF3, C2F5, C3F7, x=0-4). Chemical Research in Chinese Universities 08/2014; 30(4):656-660. DOI:10.1007/s40242-014-4075-1

10.     Guankui Long, Xiangjian Wan, Bin Kan, Zhicheng Hu, Xuan Yang, Yi Zhang, Mingtao Zhang, Hongbing Wu, Fei Huang, Shijian Su, Yong Cao, Yongsheng Chen: Impact of the Electron-Transport Layer on the Performance of Solution-Processed Small-Molecule Organic Solar Cells. ChemSusChem 08/2014; 7(8). DOI:10.1002/cssc.201402171

11.     Mingtao Zhang, Tonglei Li: Intermolecular interactions in organic crystals: Gaining insight from electronic structure analysis by density functional theory. CrystEngComm 05/2014; 16(31):7162. DOI:10.1039/C4CE00411F

12.     Xi Lu, Yawei Zhang, Nicholas Turner, Mingtao Zhang, Tonglei Li: Using computational methods to explore improvements to Kn?lker's iron catalyst. Organic & Biomolecular Chemistry 05/2014; 12(25). DOI:10.1039/c4ob00353e

13.     Xi Lu, Yawei Zhang, Mingtao Zhang, Tonglei Li: The effect of substituents on the hydrogenation of an aldehyde catalyzed by Kn?lker's catalyst. Journal of Organometallic Chemistry 01/2014; 749:69-74. DOI:10.1016/j.jorganchem.2013.09.025

14.     Xi Lu, Ming-tao Zhang, Zheng-ting Cai, Xiao-min Sun: Scattering resonance state of Br+HBr(v=0)¡úBrH(v¡ä=0)+Br reaction explored by partial potential energy surface method. Chemical Research in Chinese Universities 12/2013; 29(6):1159-1163. DOI:10.1007/s40242-013-3254-9

15.     Guankui Long, Xiangjian Wan, Peng Yun, Jiaoyan Zhou, Yongsheng Liu, Miaomiao Li, Mingtao Zhang, Yongsheng Chen: Bromination of Isothianaphthene Derivatives towards the Application in Organic Electronics. Chinese Journal of Chemistry 11/2013; 31(11). DOI:10.1002/cjoc.201300579

16.     Xi Lu, Yawei Zhang, Peng Yun, Mingtao Zhang, Tonglei Li: The mechanism for the hydrogenation of ketones catalyzed by Kn?lker's iron-catalyst. Organic & Biomolecular Chemistry 07/2013; 11(32). DOI:10.1039/c3ob40936h

17.     Guankui Long, Xiangjian Wan, Bin Kan, Yongsheng Liu, Guangrui He, Zhi Li, Yawei Zhang, Yi Zhang, Qian Zhang, Mingtao Zhang, Yongsheng Chen: Investigation of Quinquethiophene Derivatives with Different End Groups for High Open Circuit Voltage Solar Cells. Advanced Energy Materials 05/2013; 3(5). DOI:10.1002/aenm.201300046

18. Guankui Long, Xiangjian Wan, Jiaoyan Zhou, Yongsheng Liu, Zhi Li, Guangrui He, Mingtao Zhang, Yanhui Hou, Yongsheng Chen: Isothianaphthene-Based Conjugated Polymers for Organic Photovoltaic Cells. Macromolecular Chemistry and Physics 08/2012; 213(15-15):1596-1603. DOI:10.1002/macp.201200142