Structure-property investigation on TDNAZ · HNO3 and DNAZ · HCl

Gaodeng Xuexiao Huaxue Xuebao/Chemical Journal of Chinese Universities

Volumn 30, Issue 3, 2009, Pages 577-582

  Gao, Rong ^a,b   Ma, Hai Xia ^a   Yan, Biao ^a   Song, Ji Rong ^a   Wang, Ying Hui ^a  

^a NORTHWEST UNIVERSITY   (China)

^b FOURTH MILITARY MEDICAL UNIVERSITY   (China)

Author keywords

3, 3 Dinitroazetidine(DNAZ); Crystal structure; Intermediate; Quantum chemical investigation; Thermal stability

Indexed keywords

EID: 64749096546     PISSN: 02510790     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (24)

1. Archibald T. G., Gilard R., Baum K., et al.. J. Org. Chem.[J], 1990, 55(9): 2920-2924
2. Oyumi Y., Brill T. B.. Combustion and Flame.[J], 1985, 62(3): 225-231
3. Katritzky A. R., Cundy D. K., Chen J.. J. Heterocyclic Chem.[J], 1994, 31(2): 271-275
4. Hiskey M. A., Cobum M. D.. J. Heterocyclic Chem.[J], 1992, 29: 1855-1856
5. Bi Wei-Yu, Liu Qian, Zhang Zhi-Zhong, et al.. J. Exp. Pro. [J], 2002, 4: 31-32
6. Shu Yuan-Jie, Li Hong-Zhen, Huang Yi-Gang, et al.. Chin. J. Org. Chem. [J], 2003, 23(10): 1139-1141
7. Li Hong-Zhen, Shu Yuan-Jie, Liu Shi-Jun, et al.. Chem. Res. App. [J], 2004, 16(3): 393-395
8. Li Hong-Zhen. Study on the synthesis and properties of multinitroazetidines [D], Chengdu: Sichuan University, 2003
9. Velde G. T., Bickelhaupt F. M., Gisbergen S. J. A. V., et al.. J. Comput. Chem.[J], 2001, 22: 931-967
10. Guerra C. F., Snijders J. G., Velde G. T., et al.. Theor. Chem. Acc.[J], 1998, 99(6): 391-403
11. Baerends E. J., Autschbach J., Bérces A., et al.. ADF 2005.01, SCM[CP], Amsterdam: Vrije Universiteit, http://www.scm.com
12. Ma Hai-Xia, Yan Biao, Song Ji-Rong, et al.. Chem. J. Chinese Universities [J], 2009, 30(2): 377-381
13. Gong Xue-Dong, Xiao He-Ming. Chem. J. Chinese Universities [J], 1999, 20(6): 918-922
14. Ma H. X., Song J. R., Zhao F. Q., et al.. J. Phys. Chem. A[J], 2007, 111: 8642-8549
15. Vosko S. H., Wilk L., Nusair M.. Can. J. Phy.[J], 1980, 58: 1200-1211
16. Adamo C., Barone V.. J. Chem. Phy.[J], 1998, 108(2): 664-675
17. Perdew J. P., Chevary J. A., Vosko S. H., et al.. Phy. Rev. B[J], 1992, 46(11): 6671-6687
18. Mayer I.. Chem. Phy. Let.[J], 1983, 97(3): 270-274
19. Sizova O. V., Sokolov A. Y., Skripnikov L. V., et al.. Polyhedron[J], 2007, 26(16): 4680-4690
20. Kornelak P., Michalak A., Najbar M.. Catalysis Today[J], 2005, 101(2): 175-183
21. Hirshfeld F. L.. Theor. Chim. Acta[J], 1977, 44: 129-138
22. Wiberg K. B., Rablen P. R.. J. Comput. Chem.[J], 1993, 14(12): 1504-1518
23. te Velde G.. Numerical integration and other methodological aspects of bandstructure calculations, in chemistry[D], Amsterdam: Vrije Universiteit, 1990
24. Bickelhaupt F. M., Nicolaas J. R., Hommes V. E., et al.. Organometallics[J], 1996, 15: 2923-2931