Angular-group-induced bone alternation. I. Origin of the effect from ab initio calculations

Tetrahedron

Volumn 53, Issue 38, 1997, Pages 13027-13036

  Krygowski, Tadeusz M ^a   Wisiorowski, Marcin ^a   Howard, Sean T ^b   Stolarczyk, Leszek Z ^a  

^a UNIVERSITY OF WARSAW   (Poland)

^b CARDIFF UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE DERIVATIVE;

ARTICLE; CALCULATION; DRUG STRUCTURE; MOLECULAR DYNAMICS; PRIORITY JOURNAL; THEORY;

EID: 0030820266     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4020(97)00826-0     Document Type: Article

References (38)

1. Jeffrey, G.A.; Ruble, J.R.; McMullen, R.K.; Pople, J.A. Proc. Roy. Soc. Ser. A 1987, 414, 47.
2. Mills, W.H; Nixon, I.G. J. Chem. Soc. 1930, 2510.
3. Hiberty, P.C.; Ohanessian, G.; Delbecq, F. J. Am. Chem. Soc. 1985, 107, 3095.
4. (a) Apeloig, Y.; Arad, D. J. Am. Chem. Soc. 1986, 108, 3241,
5. (b) Apeloig, Y.; Arad, D.; Halton, B.; Randell C. J. Am. Chem. Soc. 1986, 108, 4932,
6. (c) Apetoig, Y.; Kami, M.; Arad, D. "Strain and Its Implications in Organic Chemistry", De Meijere, A.; Blechert, S.; Eds., Kluwer Academic Publishers: Dodrecht, The Netherlands, 1989, 457.
7. Mo, O.; Yanez, M.; Ecker-Maksic, M.; Maksic, Z.B. J. Org. Chem. 1995, 60, 1638 and references therein.
8. Eckert-Maksic, M.; Hodoscek, M.; Kovacek, D.; Mitic, D.; Maksic, Z. B.; Poljanec, K. J. Mol. Struc. (Theochem) 1990, 206, 89,
9. (b) Maksic, Z. B.; Eckert-Maksic, M.; Kovacek, D.; Margetic, D.; J. Mol. Struc. (Theochem) 1992, 260, 241,
10. (c) Eckert-Maksic, M.; Lesar, A.; Maksic, Z.B.; J. Chem. Soc. Perkin II 1992, 993,
11. (d) Eckert-Maksic, M.; Maksic, Z. B.; Hodoscek M.; Poljanec K. Int. J. Quant. Chem. 1992, 42, 869.
12. Stanger, A. J. Am. Chem. Soc. 1991, 113, 8277.
13. Faust, R.; Glendening, E. D.; Streitwieser, A.; Vollhardt, K.P.C. J. Am. Chem. Soc. 1992, 114, 8263.
14. Eckert-Maksic, M.; Hodoscek, M.; Kovacek, D.; Maksic, Z.B.; Poljanec, K.; Chem. Phys. Lett. 1990, 171, 49.
15. Boese, R.; Blaeser, D. Angew. Chem. Int. Ed. 1988, 27, 304.
16. Baldridge, K.K.; Siegel, J.S. J. Am. Chem. Soc. 1992, 114, 9583.
17. Boese, R.; Blaeser, D.; Billups, W.E.; Haley, M.M.; Maulitz, A.H.; Mohler, D.L.; Vollhardt, K.P.C. Angew. Chem. 1994, 106, 321
18. Rouhi, A.M. C&EN, 1996, 27.
19. Halton, B. Chem. Rev. 1989, 89, 1161,
20. (b) Halton, B. "Cycloproparenes", chpt. 12 in "The Chemistry of the Cyclopropanyl Group", Vol.2, Z. Rappaport Ed., Wiley & Sons 1995.
21. Katritzky, A.R.; Topsom R.D. Angew. Chem. Intl. Ed. 1970, 9, 87,
22. (b) Topsom, R.D. Progr. Phys. Org. Chem. 1987, 16, 85,
23. (c) Krygowski, T. M. ibid. 1990, 17, 239,
24. (d) Krygowski, T.M. Structure and Reactivity, Liebman, J.F. and Greenberg, A. Edts, VCH, 1988, 231,
25. (e) Domenicano, A. "Accurate Molecular Structures, their Determination and Importance", Domenicano, A.; Hargittai, I. Edts, Oxford University Press 1992, 437,
26. (f) Krygowski, T. M.; Anulewicz, R.; Kruszewski, J. Acta Cryst. 1983, B39, 732,
27. (g) Krygowski, T. M.; Turowska-Tyrk, I. Coll. Czech. Chem. Commun. 1990, 55, 165.
28. Hiberty, P.C.; Ohanessian, G. J. Am. Chem. Soc. 1984, 106, 6963.
29. George, P.; Bock, C.W.; Trachtman, M. J. Mol. Struct. (Theochem) 1986, 137, 387.
30. Krygowski, T.M.; Häfelinger, G.; Schule, J. Z. Naturforsch. 1986, 41b, 895.
31. Krygowski, T.M.; Anulewicz, R.; Wisiorowski, M. Pol. J. Chem. 1995, 69, 1579.
32. Krygowski, T.M. ; Anulewicz, R.; Jarmuła, A.; Bak, T.; Rasała, D.; Howard, S.T. Tetrahedron 1994, 50, 13155.
33. Howard, S.T.; Krygowski, T.M.; Glówka, L.T. Tetrahedron 1996, 52, 11379.
34. Krygowski, T.M.; Howard, S.T.; Martynowski; Glówka, M.L. J. Phys. Org. Chem., 1997, 10, 125.
35. Krygowski, T.M.; Anulewicz R.; and Hiberty, P.C. J. Org. Chem. 1996, 61, 8533.
36. Krygowski, T. M.; Cyrański, M.; Wisiorowski, M. Pol. J. Chem. 1996, 70, 1351.
37. Maulitz, A.H.; Stetlberg, P.; Boese, R. J. Mol. Struct. (Theochem) 1995, 338, 131
38. Wisiorowski, M.; MSc Thesis, 1996, Department of Chemistry, University of Warsaw