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Benzenoid chemical isomers and their enumeration

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Advances in the Theory of Benzenoid Hydrocarbons II

Part of the book series: Topics in Current Chemistry ((TOPCURRCHEM,volume 162))

Abstract

Benzenoid (chemical) isomers are, in a strict sense, the benzenoid systems compatible with a formula CnHs. Several invariants, including the Dias parameter, are treated and relations between them are given. Many of the relations involve upper and lower bounds. The periodic table for benzenoid hydrocarbons is revisited and new aspects of it are pointed out. In this connection some new classes of benzenoids are defined: extreme-left, protrusive and circular. Extensive tables of enumeration data for benzenoid isomers are presented. Some of their forms are displayed in figures.

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14 References

  1. Cayley A (1875) Ber Dtsch Chem Ges 8: 172

    Google Scholar 

  2. Herrmann F (1880) Ber Dtsch Chem Ges 13: 792

    Google Scholar 

  3. Henze HR, Blair CM (1931) J Am Chem Soc 53: 3077

    Google Scholar 

  4. Davis CC, Cross K, Ebel M (1971) J Chem Educ 48: 675

    Google Scholar 

  5. Knop JV, Müller WR, Szymanski K, Trinajstić N (1985) Computer generation of certain classes of molecules, SKTH/Kemija u industriji (Association of Chemists and Technologists of Croatia), Zagreb

    Google Scholar 

  6. Trinajstić N (1983) Chemical graph theory, Vols I, II, CRC Press, Boca Raton, FL

    Google Scholar 

  7. Dias JR (1982) J Chem Inf Comput Sci 22: 15

    Google Scholar 

  8. Dias JR (1982) J Chem Inf Comput Sci 22: 139

    Google Scholar 

  9. Dias JR (1983) Match 14: 83

    Google Scholar 

  10. Dias JR (1984) J Chem Inf Comput Sci 24: 124

    Google Scholar 

  11. Dias JR (1985) J Macromol Sci-Chem A 22: 335

    Google Scholar 

  12. Dias JR (1984) Can J Chem 62: 2914

    Google Scholar 

  13. Dias JR (1985) Nouv J Chim 9: 125

    Google Scholar 

  14. Dias JR (1985) Theor Chim Acta 68: 107

    Google Scholar 

  15. Dias JR (1986) J Mol Struct (Theochem) 137: 9

    Google Scholar 

  16. Dias JR (1987) J Mol Struct (Theochem) 149: 213

    Google Scholar 

  17. Dias JR (1987) Thermochim Acta 122: 313

    Google Scholar 

  18. Dias JR (1989) J Mol Struct (Theochem) 185: 57; erratum ibid 207:141

    Google Scholar 

  19. Dias JR (1987) Handbook of polycyclic hydrocarbons — Part A — Benzenoid hydrocarbons, Elsevier, Amsterdam

    Google Scholar 

  20. Dias JR (1985) Accounts Chem Res 18: 241

    Google Scholar 

  21. Dias JR (1990) In: Gutman I, Cyvin SJ (eds) Advances in the theory of benzenoid hydrocarbons (Topics in Current Chemistry 153), Springer, Berlin Heidelberg New York, p 123

    Google Scholar 

  22. Dias JR (1990) J Math Chem 4: 17

    Google Scholar 

  23. Elk SB (1980) Match 8: 121

    Google Scholar 

  24. Cyvin SJ (1990) J Mol Struct (Theochem) 208: 173

    Google Scholar 

  25. Brunvoll J, Cyvin SJ (1990) Z Naturforsch 45a: 69

    Google Scholar 

  26. Cyvin SJ, Brunvoll J, Cyvin BN (1991) Match 26: 27

    Google Scholar 

  27. Gutman I, Polansky OE (1986) Mathematical concepts in organic chemistry, Springer, Berlin Heidelberg New York

    Google Scholar 

  28. Cyvin SJ, Gutman I (1988) Kekulé structures in benzenoid hydrocarbons (Lecture Notes in Chemistry 46), Springer, Berlin Heidelberg New York

    Google Scholar 

  29. Gutman I, Cyvin SJ (1989) Introduction to the theory of benzenoid hydrocarbons, Springer, Berlin Heidelberg New York

    Google Scholar 

  30. Balaban AT, Brunvoll J, Cioslowski J, Cyvin BN, Cyvin SJ, Gutman I, He WC, He WJ, Knop JV, Kovačević M, Müller WR, Szymanski K, Tošić R, Trinajstić N (1987) Z Naturforsch 42a: 863

    Google Scholar 

  31. He WJ, He WC, Wang QX, Brunvoll J, Cyvin SJ (1988) Z Naturforsch 43a: 693

    Google Scholar 

  32. Balaban AT, Harary F (1968) Tetrahedron 24: 2505

    Google Scholar 

  33. Brunvoll J, Cyvin BN, Cyvin SJ, Gutman I (1988) Z Naturforsch 43a: 889

    Google Scholar 

  34. Balaban AT (1969) Tetrahedron 25: 2949

    Google Scholar 

  35. Harary F, Read RC, (1970) Proc Edinburgh Math Soc 17 (ser. II): 1

    Google Scholar 

  36. Harary F (1967) In: Harary F (ed) Graph theory and theoretical physics, Academic, London, p 1

    Google Scholar 

  37. Yamaguchi T, Suzuki M, Hosoya H (1975) Natural Science Report, Ochanomizu University 26: 39

    Google Scholar 

  38. Balasubramanian K, Kaufman JJ, Koski WS, Balaban AT (1980) J Comput Chem 1: 149

    Google Scholar 

  39. Bonchev D, Balaban AT (1981) J Chem Inf Comput Sci 21: 223

    Google Scholar 

  40. Gutman I (1982) Bull Soc Chim Beograd 47: 453

    Google Scholar 

  41. Džonova-Jerman-Blažič B, Trinajstić N (1982) Croat Chem Acta 55: 347

    Google Scholar 

  42. Knop JV, Szymanski K, Jeričević Ž, Trinajstić N (1983) J Comput Chem 4: 23

    Google Scholar 

  43. Trinajstić N, Jeričević Ž, Knop JV, Müller WR, Szymanski K (1983) Pure Appl Chem 55: 379

    Google Scholar 

  44. Knop JV, Szymanski K, Jeričević Ž, Trinajstić N (1984) Match 16: 119

    Google Scholar 

  45. Stojmenović I, Tošić R, Doroslovački R (1986) In: Tošić R, Acketa D, Petrović V (eds) Graph theory, Proceedings of the sixth Yugoslav seminar on graph theory, Dubrovnik, April 18–19, 1985, University of Novi Sad, p 189

    Google Scholar 

  46. Balaban AT, Brunvoll J, Cyvin BN, Cyvin SJ (1988) Tetrahedron 44: 221

    Google Scholar 

  47. Cyvin SJ, Brunvoll J (1990) Chem Phys Letters 170: 364

    Google Scholar 

  48. Doroslovački R, Tošić R (1984) Review of Research Fac Sci Univ Novi Sad, Mathematics Series 14: 201

    Google Scholar 

  49. Tošić R, Doroslovački R, Gutman I (1986) Match 19: 219

    Google Scholar 

  50. Hosoya H (1986) Croat Chem Acta 59: 583

    Google Scholar 

  51. He WC, He WJ, Cyvin BN, Cyvin SJ, Brunvoll J (1988) Match 23: 201

    Google Scholar 

  52. Harary F, Harborth H (1976) J Combinat Inf System Sci 1: 1

    Google Scholar 

  53. Cyvin SJ, Brunvoll J, Cyvin BN (1991) J Math Chem 8: 63

    Google Scholar 

  54. Brunvoll J, Cyvin BN, Cyvin SJ, Gutman I, Tošić R, Kovačević M (1989) J Mol Struct (Theochem) 184: 165

    Google Scholar 

  55. Dias JR (1989) Z Naturforsch 44a: 765

    Google Scholar 

  56. Dias JR (1990) J Chem Inf Comput Sci 30: 61

    Google Scholar 

  57. Dias JR (1990) Theor Chim Acta 77: 143

    Google Scholar 

  58. Dias JR (1990) J Chem Inf Comput Sci 30: 251

    Google Scholar 

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Authors and Affiliations

  1. Division of Physical Chemistry, The University of Trondheim, N-7034, Trondheim-NTH, Norway

    Jon Brunvoll, Björg N. Cyvin & Sven J. Cyvin

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  1. Jon Brunvoll
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  2. Björg N. Cyvin
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  3. Sven J. Cyvin
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Ivan Gutman

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© 1992 Springer-Verlag

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Brunvoll, J., Cyvin, B.N., Cyvin, S.J. (1992). Benzenoid chemical isomers and their enumeration. In: Gutman, I. (eds) Advances in the Theory of Benzenoid Hydrocarbons II. Topics in Current Chemistry, vol 162. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0018564

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  • DOI: https://doi.org/10.1007/BFb0018564

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-54961-1

  • Online ISBN: 978-3-540-46609-3

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