[1] Kakar S, et al. Electronic of the energetic material 1,3,5-triamino-2,4,6-trinitrobenzen[J].Phys. Rev.,2000,B62(23):15666～15 671.

[2] Wu C J and Fried L E. Ring closure mediated by intramolecular hydrogen transfer in the decomposition of a push-pull nitroaromatic:TATB[J].J.Phys. Chem.,2000,A104:6 447～6 452.

[3] 文忠.四种含能材料分子结构和性质的理论研究.中国工程物理研究院硕士论文,2000.Wen Z. Theoretical study of the molecular structure and properties for four kinds of energetic material. Masters thesis, China Academg of Engineering Physics, Manyang 2000.

[4] Huber K P and Herberg G. Molecular spectra and molecular structure. Ⅳ. constants of diatomic molecules[M]. N.Y.:Van Nostrand Reinhold Company, 1979.

[5] . Pure rotational spectrum of benzene-d1[J]. Chem. Phys. Lett., 1984, 108(1): 7-10.

[6] . Enthalpies of formation and calculated detonation properties of some thermally stable explosives[J]. J.Chem. Eng.Data., 1976, 21: 16-20.

[7] . Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation[J]. J.Chem.Phys., 1997, 106: 1.

[8] Walter J.Moore. Basic Physical Chemistry[M]. N.Y.: Prentice-Hall, Inc.,1983.

[9] 朱文涛.物理化学[M].北京:清华大学出版社,1995.Zhu W T. Physical chemistry[M]. Beijing: Press of Qinghua University,1995.

[10] . Predicting heats formation of energetic materials using quantum mechanical calculations[J]. Combustion and Flame, 1999, 118: 445-458.