Bond ordering relation. Incompatibility between bonds, essential single/double bonds, and the nonexistence of kekulé structures in molecular subgraphs

Journal of Chemical Information and Computer Sciences

Volumn 36, Issue 3, 1996, Pages 559-562

  Morikawa, Tetsuo ^a  

^a JOETSU UNIVERSITY OF EDUCATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0039270365     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci950174d     Document Type: Article

References (7)

1. Trinajstić, N. Chemical Graph Theory, 2nd ed.; CRC Press: Boca Raton, 1992.
2. Harary, F.; Klein, D. J.; Živković, T. P. Graphical Properties of Polyhexes: Perfect Matching Vector and Forcing. J. Math. Chem. 1991, 6, 295-306.
3. Randić, M.; Klein, D. J. Kekulé Valence Structures Revisited. Innate Degrees of Freedom of Pi-Electron Couplings In Mathematical and Computational Concepts in Chemistry; Trinajstić, N., Ed.; Ellis Horwood: New York, 1986; Chapter 23.
4. j, r}".
5. Liu, C. L. Elements of Discrete Mathematics, 2nd ed.; McGraw-Hill: New York, 1985; Chapter 4.
6. Morikawa, T. Upper and Lower Bounds for the Number of Conjugated Patterns in Carbocyclic and Heterocyclic Compounds. Z. Naturforsch. 1994, 49a, 973-976.
7. Dewar, M. J. S.; Dougherty, R. C. The PMO Theory of Organic Chemistry; Plenum: New York, 1975; p 99.