Isoresonant benzenoids

Polycyclic Aromatic Compounds

Volumn 18, Issue 1, 2000, Pages 13-24

  Zivkovic T P ^a,b   Schmalz, T G ^a   Klein, D J ^a  

^a TEXAS A AND M UNIVERSITY AT GALVESTON   (United States)

^b RUDER BO KOVI INSTITUTE   (Croatia)

Author keywords

Benzenoids; Hubbard model; H ckel model; Isoresonance

Indexed keywords

BENZENOID; HÜCKEL MODEL; ISORESONANCE; OTHER PROPERTIES; QUANTUM-CHEMICAL MODEL; RESONANCE ENERGIES; SEMI-EMPIRICAL;

QUANTUM CHEMISTRY;

EID: 0034561544     PISSN: 10406638     EISSN: None     Source Type: Journal    
DOI: 10.1080/10406630008233859     Document Type: Article

References (23)

1. Živković, T. P., Klein, D. J. and Schmalz, T. G., preceding paper.
2. Pauling, L., The Nature of the Chemical Bond (Cornell University Press, Ithaca, New York, 1939)
3. Wheland, G. W., Resonance in Organic Chemistry (John Wiley & Sons, New York, 1955).
4. (a) Carter, P. G. (1947). Trans. Faraday Soc., 45, 597;
5. (b) Swinbourne-Sheldrake, R., Herndon, W. C. and Gutman, I. (1975). Tetrahedron Lett., p. 735.
6. Balaban, A. T. and Tomescu, I. (1983). Match, 14, 155-182.
7. Randić, M., In: Valence-Bond Theory and Chemical Structure, Eds. Klein, D. J. and Trinajstić, N. (Elsevier, Amsterdam, 1990). pp. 469-488.
8. Cioslowski, J. (1985). Theor. Chim. Acta, 68, 234.
9. Knop, J. V., Müller, W. R., Szymanski, K. and Trinajstić, N., Computer Generation of Certain Classes of Molecules (SKTH/Kemija u industriji, Zagreb, 1985).
10. (a) Longuet-Higgins, H. C. and Salem, L. (1960). Proc. Roy. Soc. (London), A257, 445;
11. (b) Murrell, J. N. and Salem, L. (1961). J. Chem. Phys., 34, 1914.
12. (a) Pariser, R. and Parr, R. G. (1953). J. Chem. Phys., 21, 466 and 767;
13. (b) Ohno, K. (1964). Theor. Chim. Acta, 2, 219.
14. Alexander, S. A. and Schmalz, T. G. (1987). J. Am. Chem. Soc., 109, 6933.
15. (a) Herndon, W. C. (1973). J. Am. Chem. Soc., 95, 2404;
16. (b) Randić, M. (1977). Tetrahedron, 33, 1905.
17. Klein, D. J. and Trinajstić, N. (1989). Pure and Appl. Chem., 61, 2107.
18. Biermann, D. and Schmidt, W. (1980). J. Am. Chem. Soc., 102, 3163.
19. Hess, B. A. Jr., Schaad, L. J., Herndon, W. C., Biermann, D. and Schmidt, W. (1981). Tetrahedron, 37, 2983.
20. Balaban, A. T., Biermann, D. and Schmidt, W. (1985). Nouv. J. Chim., 9, 443.
21. (a) Polansky, O. E. and Zander, M. (1982). J. Molec. Struct., 84, 361;
22. (b) Gutman, I., Graovac, A. and Polansky, O. E. (1985). Chem. Phys. Lett., 116, 206.
23. Balaban, A. T. (1977). Rev. Roum. Chim., 22, 45.