贡雪东

1986.9 - 1990.7  华东工学院环境监测专业，学士

1990.9 - 1993.1  华东工学院物理化学专业，硕士

1993.2 - 1996.4  南京理工大学含能材料专业，博士

1993.12-1994.12  荷兰Delft University of Technology留学

指导硕士和博士研究生发表学术论文300多篇，近五年发表的部分论文如下（更新于20200712）：

1.Wang, JY; Jia, HB; Ding, LF; Xiong, X; Gong, XD, The mechanism of carbon–silica dual phase filler modified by ionic liquid and its reinforcing on natural rubber, Polymer Composites, 2015.9, 36(9), 1721–1730, https://doi.org/10.1002/pc.23083

2.Chen, Gang; Xia, Mingzhu; Lei, Wu; Wang, Fengyun; Gong, Xue-Dong, A study of the solvent effect on the crystal morphology of hexogen by means of molecular dynamics simulations, RSC Advances, 2015.5, 5, 25581-25589https://doi.org/10.1039/C4RA07544G

3.Feng-Yun Wang, Feng-He Wang, Xue-Dong Gong, The Molecular Structure and Spectral Characteristics of Heavy Metal Chelating Agent of H₃TMT and Its Complex (HgMe)₃TMT with CH₃HgCl, International Journal of Chemical Engineering and Applications, 2015.6, 6(3), 201-205 http://www.ijcea.org/vol6/481-R1006.pdf

4.Jianying Zhang, Xuedong Gong, Comparative theoretical investigation of the structures, energetics, and stabilities of C7N5H11cages. Journal of Molecular Modeling, 2015.4, 21(4): 81https://doi.org/10.1007/s00894-015-2632-2

5.Jian-ying Zhang, Xue-dong 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 [5.5.0.0 3,11 .0 5,9 ]dodecane. Journal of Physical Organic Chemistry, 2015.5, 28(9), 577-585. https://doi.org/10.1002/poc.3452

6.Tianyi Wang, Chunmei Zheng, Yan Liu, Xuedong Gong, Mingzhu Xia, Theoretical studies of the structure, stability, and detonation properties of vicinal-tetrazine 1,3-dioxide annulated with a five-membered heterocycle. 1. Annulation with a triazole ring, Journal of Molecular Modeling 2015.8, 21(8), 201. SCI(000359539700015)https://doi.org/10.1007/s00894-015-2748-4

7.Tianyi Wang, Chunmei Zheng, Xuedong Gong*, Mingzhu Xia*, Theoretical studies of the structure, stability, and detonation properties of vicinal-tetrazine 1,3-dioxide annulated with a five-membered heterocycle. 2. Annulation with a pyrazole ring, Journal of Molecular Modeling, 2015.10, 21(10), 269. SCI(000362411800020)https://doi.org/10.1007/s00894-015-2816-9

8.Junqing Yang, Xuedong Gong, Guixiang Wang,1H/2H and azide/tetrazole isomerizations and their effects on the aromaticity and stability of azido triazoles, RSC Advances, 2015.1,5(15), 9503 – 9509. SCI(000347976500026)https://doi.org/10.1039/C4RA14560G

9.Junqing Yang, Xuedong Gong, Guixiang Wang, Exploring aliphatic nitro azides for plasticizers: A combined DFT and MD investigation, RSC Advances, 2015.1, 5(17), 12843-12848. SCI(000348987700044) https://doi.org/10.1039/C4RA15302B

10.Yang Junqing, Gong Xuedong, Wang Guixiang, Structure, energetic performance, and decomposition mechanism of four azidoazoles, Structural Chemistry 2015.8, 26(4), 1077-1082SCI(000358063000017) https://doi.org/10.1007/s11224-015-0565-0

11.Junqing Yang, Hua Yan, Xuedong Gong, Guixiang Wang, Design of new aliphatic azido nitro compounds as plasticizer: an initial exploration on AFCTEE (1-azido-formic acid 1, 1, 1-trinitro-ethyl ester), Canadian Journal of Chemistry, 2015.7, 93(7): 690-695 SCI(000359065600002)https://doi.org/10.1139/cjc-2014-0565

12.Junqing Yang, Xuedong Gong, Guixiang Wang, Compatibility and mechanical properties of BAMO–AMMO/DIANP composites: A molecular dynamics simulation, Computational Materials Science, 2015.5, 102, 1–6 SCI(000352014500001)https://doi.org/10.1016/j.commatsci.2015.02.010

13.Junqing Yang, Xuedong Gong, Guixiang Wang, A promising azido nitrate ester plasticizer for propellants, Computational Materials Science, 2015.11, 110, 71–76SCI(000362010800009)https://doi.org/10.1016/j.commatsci.2015.07.049

14.Junqing Yang, Guixiang Wang, Xuedong Gong, Xiaoan Wei, Comparing the performance of aliphatic azido nitramines, nitrate esters, and nitro compounds: Theoretical design and investigation, Canadian Journal of Chemistry, 2015.11, 93(11): 1232-1238 SCI(000364158200011)https://doi.org/10.1139/cjc-2015-0266

15.Xueli Zhang, Junqing Yang, Xuedong Gong*, Theoretical Studies on the Stability of the Salts Formed by DTDO with HNO₃ and HN(NO₂)₂, Journal of Chemical Sciences, 2015.4, 127(4), 761-769. SCI(000355947700019)https://doi.org/10.1007/s12039-015-0832-z

16.Xueli Zhang, Junqing Yang, Ming Lu, Xuedong Gong, Theoretical Studies on Stability and Pyrolysis Mechanism of Salts Formed by N₅^- and Metallic Cations Na⁺, Fe²⁺ and Ni²⁺, Structural Chemistry, 2015.4, 26(3), 785-792. SCI(000352995800015)https://doi.org/10.1007/s11224-014-0536-x

17.Xueli Zhang, Xuedong Gong, Theoretical studies on the structures, intra- and inter-molecular hydrogen bonding interactions in HNF and HNF–H₂O clusters in the gaseous, aqueous and solid phases, Molecular Simulation, 2015.12, 41(18), 1528-1539SCI(000361488500009)https://doi.org/10.1080/08927022.2014.999237

18.Xueli Zhang, Xuedong Gong, Theoretical Studies on Stabilities and Detonation Performance of 5-Nitro-3-trinitromethyl-1H-1,2,4-triazole and Its Derivatives, Journal of Molecular Modeling, 2015.2, 21(2), 26 SCI(000348981900007)https://doi.org/10.1007/s00894-015-2581-9

19.Xueli Zhang, Junqing Yang, Xuedong Gong, A Simple, Fast and Convenient New Method for Predicting the Stability of Nitro Compounds, Journal of Computer-Aided Molecular Design, 2015.5, 29(5), 471-483 SCI(000352821800007)https://doi.org/10.1007/s10822-015-9837-4

20.Xueli Zhang, Junqing Yang, Ming Lu, Xuedong Gong*, Structure, Stability and Intramolecular Interaction of M(N₅)₂ (M=Mg, Ca, Sr and Ba): A Theoretical Study, RSC Advances, 2015.2, 5(28), 21823-21830SCI(000350222400049)https://doi.org/10.1039/C5RA00818B

21.Xueli Zhang, Junqing Yang, Ming Lu, Xuedong Gong*, Pyridylpentazole and Its Derivatives: A New Source of N₅^- ? RSC Advances, 2015.3,5(35), 27699-27705 SCI(000351556100062)https://doi.org/10.1039/C5RA00813A

22.Xueli Zhang, Xuedong Gong, DFT Calculations on Three Novel Compounds Containing N₁₂, N₁₄ and N₁₆ Chains: DPyTD, DTrTD and DTeTD, Computational Materials Science, 2015.11, 109, 350-358 SCI(000360248000045)https://doi.org/10.1016/j.commatsci.2015.07.045

23.Xueli Zhang, Xuedong Gong,DFT, QTAIM and NBO Investigations of the Ability of the Fe or Ni Doped CNT to Absorb and Sense CO and NO, Journal of Molecular Modeling, 2015.9, 21(9), 225 SCI(000360850900015)https://doi.org/10.1007/s00894-015-2778-y

24.Xueli Zhang, Xuedong Gong,Theoretical Investigation of Rare Gas Adsorption on and inside the B Doped Carbon Nanotubes by DFT, QTAIM and NBO, RSC Advances, 2015.8,5(80), 65604 – 65612 SCI(000359136500095)https://doi.org/10.1039/C5RA10657E

25.Xueli Zhang, Xuedong Gong, Theoretical Studies on the Energetic Salts of Substituted 3,3′-Amino-N,N′-azo-1,2,4-triazoles: The Role of Functional Groups, Journal of Chemical & Engineering Data, 2015.10, 60(10), 2869–2878 SCI(000362701300008)https://doi.org/10.1021/acs.jced.5b00257

26.Xueli Zhang, Xuedong Gong, Theoretical investigations on stability of pyridylpentazoles, pyridazylpentazoles, triazinylpentazoles, tetrazinylpentazoles, and pentazinylpentazole searching for a replacement of phenylpentazole as N₅⁻ source, Journal of Molecular Modeling, 2015.12, 21(12): 318 SCI(000366629200002)https://doi.org/10.1007/s00894-015-2867-y

27.Jianying Zhang; Gangling Chen; Xuedong Gong, Theoretical Insight into the Structure, Energetic Property and Thermal Stability of C₆N₆H₁₂ Cages, Journal of Physical Chemistry & Biophysics, 2016, 6(5), 100228. https://doi.org/10.4172/2161-0398.1000228

28.Chunmei Zheng, Yuting Chu, Liwen Xu, Fengyun Wang, Wu Lei, Mingzhu Xia, Xuedong Gong*, Theoretical studies on a new furazan compound bis[4-nitramino-furazanyl-3-azoxy]azofurazan (ADNAAF), Journal of Molecular Modeling, 2016.6, 22(6): 129 https://doi.org/10.1007/s00894-016-2995-z

29.Renlong Ye, Xuemei Nie, Yumei Zhou, Chung F. Wong, Xuedong Gong, Wei Jiang, Weihua Tang, Yan A. Wang, Thomas Heine, Baojing Zhou, Exploring host-guest complexation mechanisms by a molecular dynamics/quantum mechanics/continuum solvent model approach, Chemical Physics Letters, 2016.3, 648, 170–177https://doi.org/10.1016/j.cplett.2016.02.006

30.Renlong Ye, Xuemei Nie, Chung F. Wong, Xuedong Gong, Yan A. Wang, Thomas Heine, Baojing Zhou, Variable van der Waals radii derived from a hybrid Gaussian charge distribution model for continuum-solvent electrostatic calculations, Zeitschrift für Physikalische Chemie, 2016.5, 230(5-7): 681-701 https://doi.org/10.1515/zpch-2015-0746

31.Zhang, Xueli; Gong, Xuedong, Theoretical investigations on the stability of alkali metal substituted phenylpentazole, Journal of Molecular Modeling, 2016.5, 22(5), 106 WOS:000375318000006 https://doi.org/10.1007/s00894-016-2971-7

32.Xueli Zhang, Xue-Dong Gong, A DFT-D study on the stability and intramolecular interactions of the energetic salts of 3,6-dihydrazido-1,2,4,5-tetrazine, Canadian Journal of Chemistry, 2016.1, 94(1): 28-34WOS:000375954600005https://doi.org/10.1139/cjc-2015-0346

33.Jianying Zhang, Gangling Chen, Xuedong Gong, QSPR modeling of detonation parameters and sensitivity of some energetic materials: DFT vs. PM3 calculations, Journal of Molecular Modeling, 2017.6, 23(6): 193 WOS:000404148900021ISSN: 1610-2940eISSN: 0948-5023 https://doi.org/10.1007/s00894-017-3357-1

34.Zhang, J.-Y., Gong, X.-D. The effect of nitro groups on the structures and energetic properties of the derivatives composed of TATB and cubane, Structural Chemistry, 2017.6, 28(3), 645-654WOS:000400574100011ISSN: 1040-0400eISSN: 1572-9001 https://doi.org/10.1007/s11224-016-0819-5

35.Tang Tao; Zhang Wei-Bing; Xu Ji-Wei; Xia Ming-Zhu; Gong Xue-Dong; Wang Feng-Yun; Li Tong, Preparation and Evaluation of a C-18-Sulfonic Group Dual Modification Chromatographic Stationary Phase, Chinese Journal of Analytical Chemistry, 2017.1, 45(1), 56-60WOS:000396431200005ISSN: 0253-3820eISSN: 1872-2040https://doi.org/10.1016/S1872-2040(16)60989-1

36.Dang, Pengyun; Ye, Renlong; Meng, Fanzhi; Han, Yingbin; Zhou, Yumei; Gong, Xuedong; Zhou, Baojing, Microencapsulation thermodynamics of methylated β-cyclodextrins with bile salt: enthalpy, entropy, and solvent effect, Journal of Inclusion Phenomena and Macrocyclic Chemistry. 2017.8, 88(3-4), 181-189WOS:000405290300006ISSN: 1388-3127eISSN: 1573-1111 https://doi.org/10.1007/s10847-017-0716-6

37.Junqing Yang, Xuedong Gong, Guixiang Wang, Density functional theory and molecular dynamic investigations on the energetic and mechanical properties of nitrocellulose/nitroglycerin/pentaerythritol diazido dinitrate composites, Polymer Composites, 2017.1, 38(1), 192-198 WOS:000396395800023 ISSN: 0272-8397eISSN: 1548-0569 https://dx.doi.org/10.1002/pc.23575

38.Junqing Yang, Guixiang Wang, Xuedong Gong, Theoretical design and characterisation on the fluorinated nitrophenyl azidotriazoles, Molecular Simulation, 2017.2, 43(3), 183-188 WOS:000390847800004 ISSN: 0892-7022eISSN: 1029-0435 https://doi.org/10.1080/08927022.2016.1244606

39.Xueli Zhang, Xuedong Gong, A Computational Study on New Oxidizers as Replacements for Ammonium Perchlorate: Tetranitroacetimidic Acid and Tetranitroacetamide, Canadian Journal of Chemistry, 2017.2, 95(2): 199-206WOS:000395439900013 ISSN: 0008-4042eISSN: 1480-3291 https://doi.org/10.1139/cjc-2016-0468

40.Tao TANG，Wei-Bing ZHANG，Z. ZHANG，Ming-Zhu XIA，Xue-Dong GONG，Feng-Yun WANG, Tong LI, Design and evaluation of online/offline interface based on double loop for two dimensional Chromatography, Chinese Journal of Analytical Chemistry, 2018.3, 46(3), 311-316WOS:000429280600002ISSN: 0253-3820eISSN: 1872-2040https://doi.org/10.11895/j.issn.0253-3820.171182

41.Yupeng Cao, Haifeng Huang, Xiangyang Lin, Jun Yang, Xuedong Gong, Synthesis and properties of 5,5’-dinitramino-3,3’-bi(1,2,4-oxadiazole) and its energetic salts, New Journal of Chemistry, 2018.7, 42(14), 11390-11395 WOS:000438394800022ISSN: 1144-0546eISSN: 1369-9261 https://doi.org/10.1039/C8NJ01683F

42.Junqing Yang, Guixiang Wang, Xuedong Gong, Jianguo Zhang, Yan Alexander Wang, High-Energy Nitramine Explosives: A Design Strategy from Linear to Cyclic to Caged Molecules, ACS Omega, 2018.8, 3(8), 9739-9745 WOS:000444182900117 ISSN: 2470-1343 https://doi.org/10.1021/acsomega.8b00614

43.Junqing Yang*, Guixiang Wang, Xuedong Gong*, Jianguo Zhang*, High-pressure behavior and Hirshfeld surface analysis of nitrogen-rich materials: triazido-s-triazine (TAT) and triazido-s-heptazine (TAH), Journal of Materials Science, 2018.12, 53(23), 15977-15985 WOS:000444829500019eISSN: 1573-4803 https://doi.org/10.1007/s10853-018-2768-4

44.Junqing Yang, Xuedong Gong, Haozheng Mei, Tong Li, Jianguo Zhang, and Michael Gozin, Design of Zero Oxygen Balance Energetic Materials on the Basis of Diels–Alder Chemistry, The Journal of Organic Chemistry, 2018.11, 83(23), 14698-14702 WOS:000452929900043ISSN: 0022-3263 https://doi.org/10.1021/acs.joc.8b02000

45.Jianying Zhang, Gangling Chen, Xuedong Gong, Screening for potential energetic C-N cages with high energy and good stability: a theoretical comparative study, Molecular Simulation, 2019.1, 45(2), 129-136. WOS:000455853100005ISSN: 0892-7022eISSN: 1029-0435 https://doi.org/10.1080/08927022.2018.1540870

46.Jian Ying Zhang, Gang Ling Chen, Jie Dong, Xue Dong Gong, Effects of Electronic Delocalization and Hydrostatic Compression on Structure and Properties of Cage Compound 4-Trinitroethyl-2,6,8,10,12-pentanitrohexaazaisowurtzitane, ChemistrySelect, 2019.2, 4(5), 1567–1575. WOS:000458164500003ISSN: 2365-6549 https://doi.org/10.1002/slct.201801792

47.Yupeng Cao, Xiangyang Lin, Jun Yang, Xuedong Gong, Guijuan Fan, Haifeng Huang, Synthesis and performance study of methylene-bridged bis(nitramino-1,2,4-oxadiazole) and its energetic salts, New Journal of Chemistry, 2019.4, 43(14), 5441-5447 WOS:000464280500018ISSN: 1144-0546eISSN: 1369-9261 https://doi.org/10.1039/C9NJ00421A

48.Chunmei Zheng, Tianyi Wang, Fengyun Wang, Xuedong Gong*, Mingzhu Xia*, Theoretical studies on a new series of 1,2,3,4-tetrazine 1,3-dioxide annulation with an imidazole ring or oxazole ring, Journal of Molecular Modeling, 2019.2, 25(2): 36WOS:000455480200001ISSN: 1610-2940eISSN: 0948-5023 https://doi.org/10.1007/s00894-018-3918-y

49.Guixiang Wang*, Yimin Xu, Wenjing Zhang, Chuang Xue, Xuedong Gong*, Theoretical Study on Polyglycerine Polynitrates for Potential High Energy Plasticizers of Propellants, Canadian Journal of Chemistry, 2019.4, 97(4): 287-295 WOS:000462789300007ISSN: 0008-4042eISSN: 1480-3291 https://doi.org/10.1139/cjc-2018-0466

50.Guixiang Wang*, Yimin Xu, Wenjing Zhang, Xuedong Gong*, A Theoretical Study of Polyethylene Glycol Polynitrates as Potential Highly Energetic Plasticizers for Propellants, Central European Journal of Energetic Materials, 2019.6, 16(2): 194-215; WOS:000473094300002ISSN: 1733-7178 https://doi.org/10.22211/cejem/109761http://www.wydawnictwa.ipo.waw.pl/cejem/Vol-16-Number-2-2019/CEJEM_00952.pdf

51.Guixiang Wang*, Yimin Xu, Chuang Xue, Zhiyuan Ding, Yan Liu, Hui Liu, Xuedong Gong*, Prediction of the Crystalline Densities of Aliphatic Nitrates by Quantum Chemistry Methods, Cent. Eur. J. Energ. Mater. 2019.9, 16(3): 412-432; WOS:000502825000006ISSN: 1733-7178 https://doi.org/10.22211/cejem/112306http://www.wydawnictwa.ipo.waw.pl/cejem/Vol-16-Number3-2019/CEJEM_00978.pdf

52.Peng Zhou, Zeyu Li, Liqun Ouyang, Xuedong Gong, Peng Meng, Ming Dai, Zheng Wang, Ying Wang, A multi-element stable isotope approach coupled with chemometrics for the determination of Tieguanyin tea geographical origin and harvest season, Analytical Methods, 2019.1, 11(3), 346-352 WOS:000457298500012ISSN: 1759-9660eISSN: 1759-9679 https://doi.org/10.1039/C8AY02191K

53.Peng Zhou, Feng Zhao, Mingjie Chen, Naixing Ye, Qin Lin, Liqun Ouyang, Xiaoming Cai, Peng Meng, Xuedong Gong, Ying Wang, Determination of 21 free amino acids in 5 types of tea by ultra-high performance liquid chromatography coupled with tandem mass spectrometry (UHPLC–MS/MS) using a modified 6-aminoquinolyl-N-hydroxysuccinimidyl carbamate (AQC) method, Journal of Food Composition and Analysis, 2019.8, 81, 46-54WOS:000474499300006ISSN: 0889-1575eISSN: 1096-0481 https://doi.org/10.1016/j.jfca.2019.05.007

54.Peng Zhou, Ou Hu, Haiyan Fu, Liqun Ouyang, Xuedong Gong, Peng Meng, Zheng Wang, Ming Dai, Xiaoming Guo, Ying Wang, UPLC–Q-TOF/MS-based untargeted metabolomics coupled with chemometrics approach for Tieguanyin tea with seasonal and year variations, Food Chemistry, 2019.6, 283, 73-82. WOS:000457570100011ISSN: 0308-8146eISSN: 1873-7072 https://doi.org/10.1016/j.foodchem.2019.01.050

55.Guixiang Wang,* Wenjing Zhang, Yan Liu, Pin Gao, Xuedong Gong*, A Method Suitable for Predicting the Crystal Densities of Cyclic Organic Fluorides, ChemistrySelect 2020.2, 5(6), 1837-1845 WOS:000513245800004ISSN: 2365-6549 https://doi.org/10.1002/slct.201903593

56.Zhiyuan Ding, Pin Gao, Ming Lu, Guixiang Wang*, Xuedong Gong*, Solvent effects on the geometry, electronic structure, and bonding style of Zn(N₅)₂: A theoretical study, Journal of the Chinese Chemical Society, 2020.2, 67(2), 235-241; WOS:000474099500001ISSN: 0009-4536eISSN: 2192-6549https://doi.org/10.1002/jccs.201900205

57.Yupeng Cao, Haifeng Huang, Aimin Pang, Xiangyang Lin, Jun Yang, Xuedong Gong, Guijuan Fan, Synthesis of a bi-heterocyclic skeleton with high HOF and corresponding energetic salts with high heat of detonation, Chemical Engineering Journal, 2020.8, 393, 124683 (8pp)https://doi.org/10.1016/j.cej.2020.124683

58.Jian-ying Zhang, Gang-ling Chen, Jie dong, Pan Wang, Xue-dong Gong, Design and exploration of 5-nitro-3-trinitromethyl-1H-1,2,4-triazole and its derivatives as energetic materials, Molecular Diversity, 2020.5 WOS:000534438900001 ISSN: 1381-1991eISSN: 1573-501X https://link.springer.com/article/10.1007/s11030-020-10103-4

59.Li Peili, Liu Shuai, Cao Weiwei, Zhang Gaoke, Yang Xu, Gong Xuedong, Xing Xiaodong, Low-toxicity carbon quantum dots derived from gentamicin sulfate to combat antibiotic resistance and eradicate mature biofilms, Chemical Communications, 2020.2, 56(15), 2316-2319WOS:000517182900018ISSN: 1359-7345eISSN: 1364-548Xhttps://doi.org/10.1039/c9cc09223d

60.Peili Li, Shuai Liu, Gaoke Zhang, Xu Yang, Weiwei Cao, Xuedong Gong, Xiaodong Xing*, Design of pH-Responsive Dissociable Nanosystem Based on Carbon Dots with Enhanced Anti-biofilm Property and Excellent Biocompatibility, ACS Appl. Bio Mater., 2020.1, 3(2), 1105–1115https://doi.org/10.1021/acsabm.9b01053

61.Peili Li, Fengxuan Han, Weiwei Cao, Gaoke Zhang, Jiaying Li, Jinwei Zhou, Xuedong Gong, Gareth Turnbull, Wenmiao Shu, Lunguo Xia, Bing Fang, Xiaodong Xing*, Bin Li*, Carbon quantum dots derived from lysine and arginine simultaneously scavenge bacteria and promote tissue repair, Applied Materials Today, 2020.6, 19, 100601https://doi.org/10.1016/j.apmt.2020.100601

62.Li Yuyan, Jiang Rongpei, Xu Sen, Gong Xuedong, Pan Feng, Pang Aimin, Theoretical study on the gas-phase reaction mechanism of ammonia with nitrous oxide, Journal of Molecular Modeling, 2020.2, 26(3), 48WOS:000513717600002ISSN: 1610-2940eISSN: 0948-5023https://doi.org/10.1007/s00894-020-4291-1

薛运生（硕），2001.9～2004.3，若干靛族染料化合物结构与性能的量子化学研究；

胡英杰（硕），2001.9～2004.3，硝化甘油结构与性能的量子化学、分子动力学和分子力学研究；

蒋翠萍（硕），2003.9～2005.7，酞菁化合物结构和性能的量子化学研究；

张庆梅（硕），2003.9～2005.7，蒽醌功能材料分子结构和性能；

刘彦（博），2006.9～2012.1，若干硝基芳烃含能化合物结构与性能的理论研究；

杜洪臣（硕博），2007.9～2012.5，含能卤素氟化物和硝基苯衍生物的分子设计与计算研究；

刘卉（博），2008.3～2013.11，含吡啶环高能化合物的分子设计和理论研究；

王芳（硕博），2008.9～2013.6，新型高氮高能化合物理论研究；

张建英（硕博），2008.9～2013.6，有机笼状化合物的分子设计与性质研究；

曾建平（博），2009.2～2013.6，无磷阻垢缓蚀剂的分子动力学模拟研究；

张雪丽（硕博），2011.9～2016.5，高氧含能物质的分子设计与理论研究；

王天易（硕博），2011.9～2016.9，连四嗪含能化合物的理论研究与合成；

杨俊清（硕博），2011.9～2017.5，高能有机叠氮增塑剂的设计与计算研究；

丁志远（硕），2017.9～2020.3，五唑盐分子设计及溶剂和外压对其性能的影响研究；

薛闯（硕博），2014.9～

王靖（硕），2019.9～