Theoretical study on pyrolysis and sensitivity of energetic compounds. Part I: Simple model molecules containing NO2 group

Propellants, Explosives, Pyrotechnics

Volumn 22, Issue 6, 1997, Pages 360-364

  Xiao, Heming ^a   Fan, Jianfen ^a   Gong, Xuedong ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0009716464     PISSN: 07213115     EISSN: None     Source Type: Journal    
DOI: 10.1002/prep.19970220612     Document Type: Article

References (13)

1. M. J. S. Dewar and J. P. Ritchie, J. Org. Chem., 50 1031 (1985).
2. Xiao Heming, "Molecular Orbital Theory of Nitro Compounds", National Defense Industry Press, Beijing, 1993.
3. S. Odiot, M. Blain, J. M. Leclercq, J. Leclercq, and S. Fliszar, Propellants, Explosives, Pyrotechnics 9, 82 (1984).
4. J. J. Kaufman, P. C. Hariharan, C. Chabalowshi, and M. Hotokka, International Journal of Quantum Chemistry 19, 221 (1986).
5. Xiao Heming and Jiang Ming, Acta Chimica Sinica, 47, 1164 (1989).
6. Ling Yue, Tang Zehua, and Xiao Heming, Propellants, Explosives, Pyrotechnics 17, 116 (1992).
7. Xiao Heming, Wang Znnyao, and Yao Jianming, Acta Chimica Sinica 43, 14 (1985).
8. Xiao Heming and Li Yongfu, Science in China (Series B), 38, 538 (1995).
9. J. J. P. Stewart, "MOPAC, A General Molecular Orbital Package", QCPE 455, 5th edn, 1988.
10. J. J. P. Stewart, J. Comp-Aided Mol. Design 4, 1 (1990).
11. M. J. S. Dewar, E. G. Zoebisch, E. F. Healy, and J. J. P. Stewart, J. Am. Chem. Soc. 107, 3902 (1985).
12. J. A. Pople and D. L. Beveridge, "Approximate Molecular Orbital Theory" McGraw-Hill, New York, 1970.
13. Fan Jainfen and Xiao Heming, J. Mol. Struc. (Theochem), in press.