Klapke T M,Bellamy A J.High Energy Density Materials[M].Springer Berlin: Heidelberg,2007.
[2]
Swain P K,Singh H,Tewari S P.Energetic ionic salts based on nitrogen-rich heterocycles: A prospective study[J].Journal of Molecular Liquids,0,1(2-3): 87-96.
[3]
ZHANG Jian-guo,NIU Xiao-qing,ZHANG Shao-wen.Novel potential high-nitrogen-content energetic compound: Theoretical study of diazido-tetrazole (CN10)[J].Computational and Theoretical Chemistry,1,4(1-3): 291-297.
[4]
Garg S,Shreeve J M.Trifluoromethyl- or pentafluorosulfanyl-substituted poly-1,2,3-triazole compounds as dense stable energetic materials[J].Journal of Materials Chemistry,1,1(13): 4787-4795.
[5]
WANG Fang,DU Hong-chen,ZHANG Jian-ying,et al.A theoretical study on the structures,thermodynamics properties and detonation performances of azidamines[J].Molecular Simulation,5,0(37): 893-898.
[6]
WANG Gui-xiang,GONG Xue-dong,LIU Yan.Looking for high energy density compounds applicable for propellant among the derivatives of DPO with —N3,—ONO2,and —NNO2 groups[J].Journal of Computational Chemistry,1,2(5): 943-952.
[7]
Abou-Rachid H,Hu A,Timoshevskii V.Nanoscale high energetic materials: A polymeric nitrogen chain N{8} confined inside a carbon nanotube[J].Physical Review Letters,8,0(19): 196-201.
[8]
Zarko V E.Searching for ways to create energetic materials based on polynitrogen compounds (review)[J].Combustion,Explosion,and Shock Waves,0,6(2): 121-131.
[9]
Frisch M J,Trucks G W,Schlegel H B.Gaussian 03 Programm[G].Pittsburgh, PA: Gaussian Inc,2003.
[10]
Parr R G,Yang W.Density-functional Theory of Atoms and Molecules[M].USA: Oxford University Press,1994.
[11]
Weinhold F.In Encyclopedia of Computational Chemistry[M].Chichester,U.K: John Wiley & Sons,1998: 1792.
[12]
GUO Yu-xian,ZHANG Hou-sheng.Nitrogen equivalent(NE) and modified nitrogen equivalent(MNE) equations for predicting detonation parameters of explosives-prediction of detonation velocity of explosives[J].Explosives and Shock Waves,1983(3): 56.
[13]
Harmony M D,Laurie V W,Kuczkowski R L.Molecular structures of gas phase polyatomic molecules determined by spectroscopic methods[J].Journal of Physical and Chemical Reference Data,9,3: 619-621.
[14]
CUI Xiao-ying,YANG Bin-sheng,WU Hai-shun.Ab initio investigation of hydrogenation of (BN)16: A comparison with that of (BN)12[J].Journal of Molecular Structure: Theochem,0,1(1-3): 144-149.
[15]
Mulinax R L,Okin G S,Coombe R D.Gas phase synthesis,structure,and dissociation of boron triazide[J].Journal of Physical Chemistry,5,9(17): 6294-6300.
[16]
ZHANG Xi-he,YUN Zhu-hui.Explosive Chemistry[M].Beijing: National Defence Industry Press,1989.
[17]
LI Qian-shu,DUAN Hong-xia.Density functional theoretical study of a series of binary azides M(N3)n(n=3,4)[J].Journal of Physical Chemistry A,5,9(40): 9089-9094.
[18]
Banert K,Joo Y H,Rüffer T.The exciting chemistry of tetraazidomethane[J].Angewandte Chemie International Edition,7,6(7): 1168-1171.
[19]
Curtiss L A,Redfern P C,Smith B J.Gaussian-2 (G2) theory: Reduced basis set requirements[J].Journal of Chemical Physics,6,4: 5148-5150.
[20]
Curtiss L A,Raghavachari K,Redfern P C.Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation[J].Journal of Chemical Physics,7,6(3): 1063-1079.
[21]
QIU Ling,XIAO He-ming,JU Xue-hai.Theoretical study on the structures and properties of bicycle-HMX[J].Acta Chimica Sinica,5,3(5): 377-384.
