Study on the intermolecular interaction of energetic system - mixtures containing -CNO2 and -NH2 groups

Propellants, Explosives, Pyrotechnics

Volumn 25, Issue 1, 2000, Pages 26-30

  Jinshan, Li ^a,b   Heming, Xiao ^a   Haishan, Dong ^b  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHEMICAL BONDS; COMPUTER SIMULATION; EXPLOSIVES; MIXTURES; MOLECULAR STRUCTURE; NITROGEN COMPOUNDS;

DESENSITIZATION; INTERMOLECULAR INTERACTION; INTERMOLECULAR INTERACTION ENERGY;

MOLECULAR DYNAMICS;

EID: 0033871061     PISSN: 07213115     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-4087(200001)25:1<26::AID-PREP26>3.0.CO;2-7     Document Type: Article

References (25)

1. J. R. Stine, Mat. Res. Soc. Symp. Proc. 296, 3 (1993).
2. H. Graboske, Science & Technology Review, 3 (1997).
3. C. P. Achuthan, S. N. Sing, and J. S. Gharia, J. Armament Stud. 21(1), 48 (1985).
4. J. M. Guimont, and E. H. Marion, AD-A058467, 1978.
5. J. L. Copp, and S. E. Napier, Phil. Trans. Roy. Soc. A241, 197 (1948).
6. P. W. Linder, Trans. Faraday Soc. 57, 1024 (1961).
7. Sun Guoxiang, "Polymer Mixed Explosives", National Defense Industry Press, Beijing, 1984.
8. A. Delpuech, and J. Charville, Propellants, Explosives, Pyrotechnics 3, 169 (1978).
9. M. J. Kamlet, and H. G. Adolph, Propellants, Explosives, Pyrotechnics 4, 30 (1979).
10. F. J. Owen, THEOCHEM 121, 213 (1985).
11. J. Mullay, Propellants, Explosives, Pyrotechnics 12, 60 (1987).
12. J. S. Murray, P. Lane, P. Politzer, and P. R. Bolduc, Chem. Phys. Lett. 168, 135 (1990).
13. Xiao Heming, "Molecular Orbital Theory for nitro compounds", National Defense Industry Press, Beijing, 1993.
14. Xiao Heming, Fan Jianfen, Gu Zhiming, et al., Chemical Physics 226, 15 (1998).
15. J. J. P. Stewart, J. Comp. Chem. 10, 209 (1989).
16. H. B. Schlegel, J. Comp. Chem. 3, 214 (1982).
17. P. Hobza, and R. Zahradnik, Chem. Rev. 88, 871, (1988).
18. C. Moller, and M. S. Plesset, Phys. Rev. 46, 618 (1943).
19. P. Hobza, H. L. Selzle, and E. W. Schlag, Chem. Rev. 94, 1767 (1994).
20. B. J. Ransil, J. Chem. Phys. 34, 2109 (1961).
21. S. F. Boys, and F. Bernadi, Mol. Phys. 19, 553 (1970).
22. P. Hobza, and C. Saudorfy, J. Am. Chem. Soc. 109, 1302 (1987).
23. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., "Gaussian 94", Gaussian, Inc., Pittsburgh PA, 1995.
24. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., Gaussian 92/ DFT, Revision F.2, Gaussian, Inc., Pittsburgh PA, 1993.
25. Xiao Heming, Li Jinshan, and Dong Haishan, Acta Chimica Sinica, in press.