Zhang C.Investigation of the correlations between nitro group charges and some properties of nitro organic compounds[J].Propellants, Explos Pyrotech, 8,3(2): 139-145.
[2]
Zhang C.Investigation on the correlation between the interaction energies of all substituted groups and the molecular stabilities of nitro compounds[J].J Phys Chem A, 6,0(51): 14029-14035.
[3]
Bates L R.The potential of tetrazoles in initiating explosive systems[C]∥13th Proc.Symp.Explos.Pyrotech.San Francisco, Calif, 1986: 1-10.
[4]
张朝阳, 舒远杰, 赵晓东, 等.分子内氨基对C—NO2影响的理论研究[J].火炸药学报, 4,7(3): 32-35.ZHANG Chao-yang, SHU Yuan-jie, ZHAO Xiao-dong, et al.Effects of intramolecular amidos on C—NO2 bond in nitro compounds[J].Chinese Journal of Explosives & Propellants, 4,7(3): 32-35.
[5]
张朝阳, 舒远杰, 董海山, 等.几种烷烃和烯烃氨基硝基取代物分子内氨基对C—NO2键影响的理论研究[J].火炸药学报, 5,8(1): 54-57.ZHANG Chao-yang, SHU Yuan-jie, DONG Hai-shan, et al.Theoretical study on C—NO2 bond effected by intramolecular amidos[J].Chinese Journal of Explosives & Propellants, 5,8(1): 54-57.
[6]
Rice B M, Sahu S, Owens F J.Density functional calculations of bond dissociation energies for NO2 scission in some nitroaromatic molecules[J].J Mol Struct (THEOCHEM), 2,3: 69-72.
[7]
Li J.Relationships for the impact sensitivities of energetic C-Nitro compounds based on bond dissociation energy[J].J Phys Chem B, 0,4(6): 2198-2202.
[8]
董洁.含硝基炸药分子的结构与感度研究[D].成都: 四川大学, 2005.DONG Jie.The Relationships between Molecular Structure and Sensitivity of Nitro-explosive[D].Chengdu: Sichuan University, 2005.
[9]
肖鹤鸣, 王遵尧, 姚剑敏.芳香族硝基炸药感度和安定性的量子化学研究, Ⅰ.苯胺类硝基化合物[J].化学学报, 5,3(1): 14-18.XIAO He-ming, WANG Zun-yao, YAO Jian-min.Quantum chemical study on sensitivity and stability of aromatic nitro explosives[J].Acta Chimica Sinica, 5,3(1): 14-18.
[10]
董海山, 周芬芬.高能炸药及相关物性能[M].北京: 科学出版社, 1989.DONG Hai-shan, ZHOU Fen-fen.The Property of High-energy Explosive and Its Relatives[M].Beijing: Science Press, 1989.
[11]
肖鹤鸣, 李永富, 冯蓓雷, 等.芳香族硝基炸药感度和安定性的量子化学研究, Ⅳ.甲苯和苯酚类硝基衍生物[J].华东工学院学报, 1988(2): 21-25.XIAO He-ming, LI Yong-fu, FENG Pei-lei, et al.Quantum Chemical Study On Sensitivity and Stabilty of Aromatic Nitro Explosives Nitro Derivatives of Methylbenzenes and Phenols[J].Journal of East China Institute of Technology, 1988(2): 21-25.
[12]
肖鹤鸣.硝基化合物的分子轨道理论[M].北京: 国防工业出版社, 1993.XIAO He-ming.Moleculaer Orbital Theory of Nitro-compound[M].Beijing: Publishing House of Defense Industru, 1993
[13]
宋华菊.炸药感度的量子化学研究[D].南京: 南京理工大学.2004.SONG Hua-ju.The Quantum Chemistry Research of Explosive sensitivity[D].Nanjing: Nanjing University of Science and Technology, 2004.
[14]
March N H.Electron density theory of atoms and molecules[M].New York: Academic Press, 1992.
[15]
Politzer P, Murray J S.Relationships between dissociation energies and electrostatic potentials of C—NO2 bonds: Applications to impact sensitivities[J].J Mol Struct, 6,6(1-3): 419-424.
[16]
Owens F J, Jayasuriya K, Abrahmsenet L, et al.Computational analysis of some properties associated with the nitro groups in polynitroaromatic molecules[J].Chem Phys Lett, 5,6(5): 434-438.
[17]
Murray J S, Politzer P.Relationships between lattice energies and surface electrostatic potentials and areas of anions[J].J Phys Chem A, 8,2(6): 1018-1020.
[18]
王开明.含硝基炸药撞击感度与其分子内静电势关系的研究[D].四川: 四川大学, 2001.
[19]
程新路, 王开明, 张红, 等.五种典型硝基苯胺类炸药的静电势与撞击感度的关系研究[J].原子与分子物理学报.2,9(1): 94-96.CHENG Xin-lu, WANG Kai-ming, ZHANG Hong, et al.Relationships between impact sensitivities and the electrostatic potentials for five nitrophenols explosives[J].Chinese Journal of Atomic And Molecular Physics, 2,9(1): 94-96.
[20]
Citroni M, Datchi F, Bini R, et al.Crystal structure of nitromethane up to the reaction threshold pressure[J].J Phys Chem B, 8,2(4): 1095-1103.
[21]
Kuklja M M, Rashkeev S N.Shear-strain-induced chemical reactivity of layered molecular crystals[J].Appl Phys Lett, 7,0: 151913(1-3).
[22]
Politzer P, Alper H E.Computational chemistry: reviews of current trends[M].Leszczynski J, ed∥World Scientific River Edge, NJ1,9: 271-286.
[23]
黄辉,王泽山,黄亨建,等.新型含能材料的研究进展[J].火炸药学报,2005.28(4): 9-12.HUANG Hui,WANG Ze-shan,HAUNG Heng-jia,et al.Researches and progresses of novel energetic materials[J].Chinese Journal of Explosives & Propellants,5,8(4): 9-12.
[24]
董海山.高能量密度材料的发展及对策[J].含能材料, 2004(增刊): 1-12.DONG Hai-shan.The development and countermeasure of high energy density materials[J].Chinese Journal of Energetic Materials (Hanneng Cailiao), 2004(supplement): 1-12.
[25]
朱正福, 李长福, 武堃, 等.火炸药综合感度评估方法研究[J].含能材料, 9,5(17): 612-615.ZHU Zheng-fu, LI Chang-fu, WU Kun, et al.Evaluation method of synthetic sensitivity of explosive[J].Chinese Journal of Energetic Materials (Hanneng Cailiao), 9,5(17): 612-615.
[26]
董喜城, 陈敏伯, 柴鸽庆, 等.高能量密度材料的分子设计[J].计算机与应用化学, 0,7(2): 187-.DONG Xi-Cheng, CHEN Min-Bo, CHAI Ge-Qing, et al.Molecular design for high energy density materials[J].Computers and Applied Chemistry, 0,7(2): 187-.
[27]
Delpuech A, Cherville J.Molecular electronic structure and initiation of secondary explosives[C]∥Proc.1st Symp.Chem.Probl.Connected Stab.Explos.1976: 298.
[28]
Delpuech A, Cherville J.Relation entre la structure electronique et la sensibilité au choc des explosifs secondaires nitrés-critère moléculaire de sensibilité.I.Cas des nitroaromatiques et des nitramines[J].Propellants, Explos Pyrotech, 8,3(6): 169-175.
[29]
Delpuech A, Cherville J.Relation entre la structure electronique et la sensibilité au choc des explosifs secondaires nitrés.critère moléculaire de sensibilité.II.Cas des esters nitriques[J].Propellants, Explos Pyrotech, 9,4(6): 121-128.
[30]
Zhang C, Shu Y, Huang Y, et al.Investigation of correlation between impact sensitivities and nitro group charges in nitro compounds[J].J Phys Chem B, 5,9(18): 8978-8982.
[31]
Zhang C.Review of the establishment of nitro group charge method and its applications[J].J Hazard Mater, 9,1: 21-28.
[32]
Zhang C.Investigations of correlation between nitro group charges and C-nitro bond strength, and amino group effects on C-nitro bonds in planar conjugated molecules[J].Chem Phys, 6,4: 547-555.
[33]
王开明, 张红, 程新路, 等.硝基甲苯类炸药C-NO2键中点的静电势[J].原子与分子物理学报.3,0(2): 266-270.WANG Kai-ming, ZHANG Hong, CHENG Xin-lu, et al.Relationships between impact sensitivities and the electrostatic potentials for nitrotoluene[J].Chinese Journal of Atomic And Molecular Physics, 3,0(2): 266-270.
[34]
Zeman S.Chapter 2 A study of chemical micro-mechanisms of initiation of organic polynitro compounds[J].Theoretical and Computational Chemistry, 3,3: 25-52.
[35]
Zeman S.Analysis and prediction of the Arrhenius parameters of low-temperature thermolysis of nitramines by means of the 15N NMR spectroscopy[J].Thermochimica Acta, 9,3(2): 121-129.
[36]
朱卫华, 张效文, 肖鹤鸣.高能晶体撞击感度理论研究—第一性原理带隙(ΔEg)判据[J].含能材料, 0,8(4): 431-434.ZHU Wei-hua, ZHANG Xiao-wen, XIAO He-ming.Theoretical studies of impact sensitivity of energetic crystals-first-principles band gap (ΔEg) criterion[J].Chinese Journal of Energetic Materials(Hanneng Cailiao), 0,8(4): 431-434.
[37]
肖鹤鸣, 许晓娟, 邱玲.高能量密度材料的理论设计[M].北京: 科学出版社, 2008.
[38]
Zhi C, Cheng X.The correlation between electric spark sensitivity of polynitroaromatic compounds and their molecular electronic properties[J].Propellants, Explos Pyrotech, 0,5(6): 555-560.
[39]
Dick J J, Mulford R N, Spencer W J, et al.Shock response of pentaerythritol tetranitrate single crystals[J].J Appl Phys, 1,0(7): 3572-3587.
[40]
居学海, 肖鹤鸣.季戊四醇四硝酸酯晶体能带结构和起爆机理的DFT研究[J].高等学校化学学报, 3,4(11): 2035-2038.JU Xue-hai, XIAO He-ming.DFT studies on energy band structure and detonation mechanism of pentaerythritol tetranitrate crystal[J].Chemical Journal of Chinese Universities, 3,4(11): 2035-2038.
[41]
Zhang C, Wang X, Huang H.π-stacked interactions in explosive crystals: Buffers against external mechanical stimuli[J].J Am Chem Soc, 8,0(26): 8359-8365.
[42]
Zhang C.Computational investigation on the desensitizing mechanism of graphite in explosives versus mechanical stimuli: Compression and glide[J].J Phys Chem B, 7,1(22): 6208-6213.
[43]
Zhang C.Investigation of the slide of the single layer of the 1,3, 5-triamino-2,4, 6- trinitrobenzene crystal: Sliding potential and orientation[J].J Phys Chem B, 7,1(51): 14295-14298.
[44]
Zhang C, Cao X, Xiang B.Sandwich complex of TATB/graphene: An approach to molecular monolayers of explosives[J].J Phys Chem C, 0,4(51): 22684-22687.
[45]
Yarger F L, Olinger B.Compression of solid nitromethane to 15 GPa at 298 K[J].J Chem Phys, 6,5(3): 1534-1538.