张建英

文章作者:时间:2016-06-07浏览:4530

               

 

学历:博士

个人简介:

张建英,女,中共党员,2003.9-2007.7 山西大同大学化学专业,获本科学位。2008.9-2013.7 南京理工大学硕博连读,获材料科学与工程专业博士学位。2012年11月参加由美国科学基金会、美国国立卫生研究所和美国杰克逊州立大学共同承办的第21届国际量子化学会议(The 21th Conference on Current Trends in Computational Chemistry, 21th CCTCC)。2012年9月获南京理工大学博士奖学金一等奖。南京理工大学2011-2012学年“优秀研究生”。南京理工大学2013年“优秀毕业研究生”。

研究方向:

有机化学,精细化学品化学, 高能量密度分子材料设计,功能材料理论计算研究。

 

主要论文:

[1] J Y Zhang, G L Chen, J Dong, X D Gong. Effects of electronic delocalization and hydrostatic compression on structure and properties of cage compound 4-trinitroethyl-2, 6, 8, 10, 12-pentanitrohexaazaisowurtzitane. Chemistry SELECT, 2019, 4(5): 1567-1575

[2]J Y Zhang, G L Chen, X D Gong. Screening for potential energetic C-N cages with high energy and good stability: a theoretical comparative study. Mol. Simulat., 2018, 45(1): 1-8

[3] J Y Zhang, G L Chen, X D Gong. QSPR modeling of detonation parameters and sensitivity of some energetic materials: DFT vs. PM3 calculations. J. Mol.Model., 2017, 23: 193

[4] J Y Zhang, X D Gong. The effect of nitro groups on the structures and energetic properties of the derivatives composed of TATB and cubane. Struct. Chem., 2017, 28: 645-654

[5] J Y Zhang, X D Gong. Comparative theoretical investigation on the structure, energetic, and stability of C7N5H11cages. Struct. Chem., 2015, 21: 1-8

[6] J Y Zhang, X D Gong. Computer simulations and analysis of structural and energetic features of crystalline cage energetic compound: 2, 4, 6, 8, 12-pentanitro-10-(3, 5, 6-trinitro (2-pyridyl))-2, 4, 6, 8, 12-hexaazatetracyclo [5.5.0.03,11.0 5,9 ]dodecane. J. Phys. Org. Chem., 2015, 28: 577-585

[7] J Y Zhang, H C Du, X D Gong. Computational characterization of 2, 4, 6, 8, 10, 12, 13-heptaazatetracyclo [5.5.1.03,11.05,9] tridecanes as potential energetic compounds. Struct. Chem., 2013, 24: 2163-2172

[8] J Y Zhang, H C Du, X D Gong. A DFT study of cage compounds: 3, 5, 8, 10, 11, 12-hexanitro-3, 5, 8, 10, 11, 12-hexaazatetracyclo [5.5.1.12,6.04,9] dodecane and its derivatives as high energetic materials. Struct. Chem., 2013, 24: 1339-1346

[9] J Y Zhang, H C Du, F Wang, X D Gong, Y S Huang. Theoretical investigations of a high density cage compound 10-(1-nitro-1, 2, 3, 4- tetraazol-5-yl))methyl-2, 4, 6, 8, 12-hexanitrohexaazaisowurtzitane. J. Mol. Model., 2012, 18: 165–170

[10] J Y Zhang, H C Du, F Wang, X D Gong, S J Ying. Crystal structure, detonation performance, and thermal stability of a new polynitro cage compound: 2, 4, 6, 8, 10, 12, 13, 14, 15-nonanitro-2, 4, 6, 8, 10, 12, 13, 14, 15-nonaazaheptacyclo [5.5.1.13,11.15,9] pentadecane. J. Mol. Model., 2012, 18: 2369-2376

[11] J Y Zhang, H C Du, F Wang, X D Gong, Y S Huang. DFT studies on a high energy density cage compound 4-trinitroethyl-2, 6, 8, 10, 12- pentanitrohezaazaisowurtzitane. J. Phys. Chem. A, 2011, 115: 6617-6621


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