Prediction of structure and density for organic nitramines

Journal of Molecular Structure

Volumn 378, Issue 2, 1996, Pages 67-82

  Dzyabchenko, A V ^a   Pivina, T S ^b   Arnautova, E A ^b  

^a KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

^b N D ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

Author keywords

Atom atom potential function; Computer assisted structure prediction; Nitro amino compound; X ray crystallography

Indexed keywords

EID: 0002549779     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/0022-2860(95)09165-3     Document Type: Article

References (23)

1. A.I. Kitaigorodsky, Molecular Crystals and Molecules, Academic Press, New York, 1973.
2. A.J. Pertsin and A.I. Kitaigorodsky, The Atom-Atom Potential Method in the Physics and Chemistry of Organic Molecular Solids, Springer, New York, 1986.
3. T.V. Timofeeva, N.Yu. Chernikova and P.M. Zorkii, Russ. Chem. Rev., 49 (1980) 509.
4. D.E. Williams, Acta Crystallogr., Sect. A, 25 (1969) 464.
5. A.V. Dzyabchenko, Ph.D. Thesis, Computation of Optimal Packing of Organic Crystals in Atom-Atom Approximation, Moscow, 1980, p. 127.
6. A.V. Dzyabchenko, J. Struct. Chem., 25 (1984) 416.
7. A.V. Dzyabchenko, Kristallografiya, 34 (1989) 226.
8. K.D. Gibson and H.A. Scheraga, J. Phys. Chem., 99 (1995) 3765.
9. A. Gavezzotti, J. Am. Chem. Soc., 113 (1991) 4622.
10. H.R. Karfunkel and R.J. Gdanitz, J. Comput. Chem., 13 (1992) 1171.
11. J.R. Holden, Z. Du and H.L. Ammon, J. Comput. Chem., 14 (1993) 422.
12. A.V. Dzyabchenko and V. Agafonov, Computer-aided design of crystalline drugs, in L. Hunter and B.D. Shriver (Eds.), 28th Hawaii Int. Conf. on System Sciences, Vol. 5, Biotechnology Computing, IEEE Computer Soc. Press, Los Alamitos, CA, USA, 1995, pp. 237-245.
13. D. Louer, M. Louer, A.V. Dzyabchenko, V. Agafonov and R. Ceolin. Acta Crystallogr., Sect. B, 51 (1995) 182.
14. A.T. Nielsen, Polycyclic amine chemistry, in G.A. Olah and D.R. Squire (Eds.), Chemistry of Energetic Materials, Academic Press, 1991, p. 95.
15. T.S. Pivina and V.A. Shlyapochnikov, Zh. Fiz. Khim., 66 (1992) 84.
16. N.E. Kuzmina, N.A. Pirogova, T.S. Pivina and V.A. Shlyapochnikov, Zh. Fiz. Khim., 66 (1992) 101.
17. A. Immirzi and B. Perini, Acta Crystallogr., Sect. A, 33 (1977) 216.
18. A.V. Dzyabchenko, Acta Crystallogr., Sect. A, 39 (1983) 941.
19. F.L. Hirshfeld, Acta Crystallogr., Sect. A, 24 (1968) 301.
20. A.V. Dzyabchenko, Acta Crystallogr., Sect. B, 50 (1994) 414.
21. A.V. Dzyabchenko, Vestn. Sankt-Peterburgskogo Univ., Ser. 4, 2 (1994) 123.
22. A.V. Dzyabchenko, P.N. D'yachkov and V. Agafonov. Izv. Russ. Akad., Ser. Khim., 8 (1995) 1466.
23. A.V. Dzyabchenko, V.K. Belsky and P.M. Zorkii, Kristallografiya, 24 (1979) 221.