Efficient Method for Calculating the Resonance Energy Expression of Benzenoid Hydrocarbons Based on the Enumeration of Conjugated Circuits

Journal of Chemical Information and Computer Sciences

Volumn 40, Issue 3, 2000, Pages 778-783

  Lin, Cheng De ^a  

^a XIAMEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0012232539     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci990136k     Document Type: Article

References (21)

1. Randic, M. Conjugated Circuits and Resonance Energies of Benzenoid Hydrocarbons. Chem. Phys. Lett. 1976, 38, 68-72.
2. Randic, M. Aromaticity and Conjugation, J. Am. Chem. Soc. 1977, 99, 444-450.
3. Randic, M. A Graph Theoretical Approach to Conjugation and Resonance Energies of Hydrocarbons. Tetrahedron 1977, 33, 1905-1920.
4. Randic, M. Resonance Energy of Very Large Benzenoid Hydrocarbons. Int. J. Quantum Chem. 1980, 17, 549-586.
5. Guo, X.; Randic, M. Recursive Method for Enumeration of Linearly Independent and Minimal Conjugated Circuits of Benzenoid Hydrocarbons. J. Chem. Inf. Comput. Sci. 1994, 34, 339-348.
6. Lin, C.; Fan G. Algorithms for the Count of Linearly Independent and Minimal Conjugated Circuits in Benzenoid Hydrocarbons. J. Chem. Inf. Comput. Sci., 1999, 39, 782-787.
7. Guo, X.; Randic, M.: Klein, D. J. Analytical Expressions for the Count of LM-Conjugated Circuits of Benzenoid Hydrocarbons. Int. J. Quantum Chem. 1996, 60, 943-958.
8. Gutman, I.; Cyvin, S. J. Introduction to the Theory of Benzenoid Hydrocarbons; Springer-Verlag: Berlin, 1989.
9. Randic, M.; Guo, X. Giant Benzenoid Hydrocarbons. Superphenalene Resonance Energy. New J. Chem. 1999, 23, 251-260.
10. 26. Int. J. Quantum Chem. 1999, 74, 697-708.
11. Herdon, W. C. Thermochim. Acta 1973, 8, 225-238.
12. Klein, D. J.; Hite, G. E.; Schmalz, T. G. Transfer-Matrix Method for Subgraph Enumeration: Applications to Polypyrene Fusenes. J. Comput. Chem. 1986, 7, 443-456.
13. 60, Buckminster fullerene. J. Am. Chem. Soc. 1986, 108, 1301-1032.
14. Klein, D. J.; Seitz, W. A.; Schmalz, T. G. Icosahedral symmetry carbon cage molecules. Nature (London) 1986, 323, 703-706.
15. Klein, D. J.; Zivkovic, T. P.; Trinajstic, N. J. Math. Chem. 1987, 1, 309-315.
16. Gutman. I. Counting Independent Conjugated Circuits in Benzenoid Hydrocarbons. Z. Phys. Chem. (Leipzig) 1990, 271 (4), S 79.3-798.
17. Lin, C.; Fan, G. A Direct Method for Clar Covering Polynomial. J. Xiamen Univ. Nat. Sci. 1998, 37 (3), 340-345.
18. Fan, G.; Lin, C. Determining the Fixed Bonds of Generalized Hexagonal Systems. J. Xiamen Univ. Nat. Sci. 1998, 37 (6), 824-830.
19. Morgenroth, F.; Reuther, E.; Mullen, K. Polyphenylene Dendrimers: From Three-Dimensional to Two-Dimensional Structures. Angew. Chem., Int. Ed. Engt. 1997, 36 (6), 631-634.
20. Iyer, V. S.; Wehmeier, M.; Brand, J. D.; Keegstra, M. A.; Mullen, K. From Hexa-peri-hexabenzocoronene to "Superacenes". Angew. Chem., Int. Ed. Engl. 1997, 36 (15), 1604-1607.
21. Muller, M.: Iyer, V. S.; Kubel, C.; Enkelmann, V.; Mullen, K. Polycyclic Aromatic Hydrocarbons by Cyclodehydrogenation and Skeletal Rearrangement of Oligophenylenes. Angew. Chem., Int. Ed. Engl. 1997, 56 (15), 1607-1610.