Computer generation and theoretical study of alicyclic caged structures without small-size cycles

Russian Chemical Bulletin

Volumn 45, Issue 10, 1996, Pages 2302-2308

  Evtushenko, A V ^a   Mokhanova, M S ^a   Smirnov, B B ^a   Shlyapochnikov, V A ^a  

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

Author keywords

Caged structures; Enthalpy of formation; Molecular mechanics; Strain energy

Indexed keywords

EID: 21744444761     PISSN: 10665285     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF01435372     Document Type: Article

References (21)

1. T. S. Pivina, M. S. Molchanova, V. V. Shchcrtmkhin, and N. S. Zefirov, Propellanls. Explosives, Pyrotechnies. 1994, 19. 286.
2. T. S. Pivina, E. A. Arnautova, M. S. Molchanova, and V. V. Shcherbukhin, J. Phys. Ill, I995, 5. 505.
3. T. S. Pivina, V. V. Shcherbukhin, M. S. Molchanova, and N. S. Zefirov, Propellants, Explosives, Pyrotechnies, 1995, 20. 144.
4. J. Alster, S. lyer, and O. Sandus, NATO AS! Ser.. Ser. C. 309(Chem. Phys. Energ. Mater.), 1990, 641.
5. B. W. Clare and D. L. Kepert J. Math. Chem.. 1991, 6, 325
6. R. B. King, J. Math. Chem., 1991, 7, 51.
7. Y.-M. Wang, Ch. Chen, and Sh.-S. Cheng, Huoyau Jishit, 1994, 10, 11.
8. Y. Wang, The Synthesis and Chemistry of Polycyclic Cage Compounds. Diss. Abstr. Int. B, 1995, 56 (I), 249.
9. A. T. Nielsen, in Chemistry of Energetic Materials, Eds. G. A. Olah and D. R. Squire, Academic Press, 1991.
10. M. S. Molchanova, V. V. Shcherbukhin. and N. S. Zefirov, J. Chem. Inf. Compitl. Sei., 1996, 36 (4), 888.
11. I. A. Faradjev, in Algorithmic Investigations in Combinatorics, Nauka, Moscow, 1978, 11 (in Russian).
12. S. G. Molodtsov, Commun. Math. Chem. (MATCH), 1994, 30, 213.
13. M. I. Nechepurenko, V. K. Popkov, S. M. Mainagashev, et al., Algorithms and Programs for Solution of Graph and Network Problems. Nauka, Moscow, 1990 (in Russian).
14. F. Harary, Graph Theory, Addison-Weslcy, Reading, MA, 1969.
15. V. I. Sokolov, Introduction to Theoretical Stereochemistry. Nauka, Moscow. 1982 (in Russian).
16. D. M. Walba, R. M. Richards, and R. C. Haltiwangcr. J. Am. Chem. Soc.. 1982, 104, 3219.
17. S. Elk, J. Chem. Inf. Comput. Sei., 1990. 30. 69.
18. N. S. Zefirov, S. S. Tratch, and O. S. Chizhov. Itogi Nauki i Tekhniki, Ser. Org. Chem., 3, VINITI. Moscow, 1979, 90 pp. (in Russian).
19. T. Clark, A Handbook of Computational Chemistry, J. Wiley and Sons, New York, 1985.
20. E. Etigler, J. Andose, and P. Schlcyer J. Am. Chem. Soc., 1973. 95. 8005.
21. R. Grund, A. Kerber, and R. Laue, Commun. Math. Chem. (MATCH). 1992, 27. 87.