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主任李泽荣教授

理学博士,四川大学化学学院教授 研究领域:(1)燃烧热、动力学理论研究 (2)计算机辅助药物分子设计

  教育工作经历       
       博导,物理化学、化学生物学、应用化学专业硕士生导师。 
       1985年本科毕业于四川大学化学系。1994年获得博士学位
       2001年-2005年在新加坡国立大学做博士后及访问学者
       近年主要从事燃烧 热、动力学的理论研究。承担本科生“物理化学”课程教学。

 
联系方式: 
        Phone: +86-28-85406139    Fax: +86-28-85407797    Email: lizerong@scu.edu.cn

 
近年承担主要科研项目:
(1)以负责人完成项目:
        国家自然科学基面上项目课题一项(碳氢氧化合物和自由基热动力学理参数的理论计算,31万,项目批准号:20973118)
        国防重大专项二项(批准编号:JG2010015, 50万;JG2011118, 65万)。
(2)以负责人在研项目:
        国家自然科学基金-重大研究计划(培育)项目一项(碳氢燃料压力相关燃烧热动力学及压力相关热裂解和燃烧机理构建研究,80万,项目批准号:91441114)
 
近年来代表性论文:

1. Hongbo Ning, Chunming Gong, Zerong Li,* and Xiangyuan Li*. Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis. J. Phys. Chem. A, 2015, 119, 4093−4107.

2. Chunming Gong, Hongbo Ning, Zerong Li* , Xiangyuan Li*. Theoretical and kinetic study of reaction C2H + C3H6 on the C5H7 potential energy surface. Theor Chem Acc, 2015, 134, 1599.

3. Shaozhuan Xionga, Qianyao, Zerong Li*, Xianyuan Li*. Reaction of ketenyl radical with hydroxyl radical over C2H2O2 potential energy surface: A theoretical study. Combustion and Flame, 2014, 161, 885-897.

4. Wenli Huang,Guobing Yang,Xiaojun Zhao,Zerong Li*. Prediction of HLA-DRB1*0401 binding peptides using support vector machine. Int. J. Data Mining and Bioinformatics, 2014, 10, 189-205.

5. Wang BY., Li ZR*, Tan NX., Yao Q., Li XY. Interpretation and Application of Reaction Class Transition State Theory for Accurate Calculation of Thermokinetic Parameters Using Isodesmic Reaction Method. J. Phys. Chem. A, 2013, 117, 3279−3291.

6. Chunming Gong, Zerong Li*, and Xiangyuan Li*. Theoretical Kinetic Study of Thermal Decomposition of Cyclohexane. Energy & Fuels, 2012, 26, 2811−2820.

7. Ju He, Guobing Yang, Hanbing Rao, Zerong Li*,Xianping Ding, Yuzong Chen. Prediction of human major histocompatibility complex class II binding peptides by continuous kernel discrimination method. Artificial Intelligence in Medicine, 2012, 55, 107-115.

8. HB Rao, F Zhu, GB.Yang, ZR Li*, and YZ Chen. Update of PROFEAT: a web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence. Nucleic Acids Research, 2011, 39, W385-W390.
 
9. Hanbing Rao, Xianyin Zeng, Hua He, and Zerong Li*.Theoretical Investigations on Removal Reactions of Ethenol by H Atom. J. Phys. Chem. A, 2011, 115: 1602-1608.
 
10..Cunxi Liu, Haixia Wang, Zerong Li*,Hanbing Rao, Chongwen Zhou, Xiangyuan Li.Accurate Prediction of Enthalpies of Formation for a Large Set of Organic compounds. J. Comput. Chem, 2010, 31: 2585-2592.
 
11. Hanbing Rao, Zerong Li*, et.al. Identification of Small Molecule Aggregators From Large Compound Libraries by Support Vector Machines. J. Comput. Chem. 2010,31: 752.
 
12.Liu CunXi,Li Zerong*, Zhou Chongwen, Li Xiangyuan. Accurate Prediction of Thermodynamical Properties of Alkyl peroxides by Combining Density Functional Theory Calculation with Least-square Calibration. J Comput Chem, 2009, 30: 1007-1015.
 
13.Hanbing Rao, Guobing Yang, Ningxin Tan, Ping Li, Zerong Li*, Xiangyuan Li. Prediction of HIV-1 Protease Inhibitors Using Machine Learning Approaches. QSAR Comb. Sci, 2009, 28: 1346-1357.

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