On characterization of cyclic structures

Journal of Chemical Information and Computer Sciences

Volumn 37, Issue 6, 1997, Pages 1063-1071

  Randić, Milan ^a,b  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

^b DRAKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000172629     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci9702407     Document Type: Article

References (40)

1. Wiener, H. Structural determination of paraffin boiling points. J. Am. Chem. Soc. 1947, 69, 2636.
2. Platt, J. R. Prediction of isomeric differences in paraffin properties. J. Phys. Chem. 1952, 56, 328-336.
3. Lovasz, L.; Pelikan, I. On the eigenvalues of trees. Period. Math. Hung. 1973, 3, 175-182.
4. Randić, M. On characterization of molecular branching. J. Am. Chem. Soc. 1975, 97, 6609-6615.
5. Hosoya, H. Topological index. A newly proposed quantity characterizing the topological nature of structural isomers of saturated hydrocarbons. Bull. Chem. Soc. Jpn. 1971, 44, 2332.
6. Randić, M.; Razinger, M.; Plavšič, D. Double invariants. MATCH 1997, 35, 243-259.
7. Randić, M. On molecular branching. Acta Chim. Slov. 1997, 44, 57-77.
8. Bonchev, D.; Mekenyan, O.; Trinajstić, N. Topological Characterization of Cyclic Structures. Int. J. Quant. Chem. 1980, 17, 845-893.
9. Bonchev, D.; Balaban, A. T.; Liu, X.; Klein, D. J. Molecular cyclicity and centrality of polycyclic graphs. I. Cyclicity based on resistance distances or reciprocal distances. Int. J. Quant. Chem. 1994, 50, 1-20.
10. Klein, D.; Randić, M. Resistance distance. J. Math. Chem. 1993, 12, 81-95.
11. Harary, F. Graph theory; Addison-Wesley: Reading, MA, 1969.
12. Amić, D.; Trinajstić, N. On the detour matrix. Croat. Chem. Acta 1995, 68, 53-62.
13. Lukovits, I.; The detour index. Croat. Chem. Acta 1996, 69, 873-882.
14. Nikolić, S.; Trinajstić, N.; Jurić, A.; Mihalić, Z. The detour matrix and the detour index of weighted graphs. Croat. Chem. Acta 1996, 69, 1577-1591.
15. Lukovits, I.; Razinger, M. On calculation of the detour index. J. Chem. Inf. Comput. Sci. 1997, 37, 283-286.
16. Trinajstić, N.; Nikolić, S.; Mihalić, Z. On computing the molecular detour matrix. Int. J. Quant. Chem. In press.
17. Trinajstić, N.; Nikolić, S.; Lučić, B.; Amić, D.; Mihalić, Z. The detour matrix in chemistry. J. Chem. Inf. Comput. Sci. 1997, 37, 631-638.
18. Randić, M.; DeAlba, L. M.; Harris, F. E. Graphs with identical detour matrix. Croat. Chem. Acta In press.
19. Tratch, S. S.; Stankevitch, M. I.; Zefirov, N. S. Combinatorial models and algorithms in chemistry. The expanded Wiener number - A novel topological index. J. Comput. Chem. 1990, 11, 899-908.
20. Randić, M. Novel molecular descriptor for structure-property studies. Chem. Phys. Lett. 1993, 211, 478-483.
21. Randić, M.; Guo, X.; Oxley, T.; Krishnapriyan, H. Wiener matrix: source of novel graph invariants. J. Chem. Inf. Comput. Sci. 1993, 33, 709-716.
22. Randić, M. Restricted random walk on a graph as a source of novel molecular descriptors. Theor. Chim. Acta. 1995, 92, 97-106.
23. Trinajstić, N.; Babić, D.; Nikolić, S.; Plavśic, D.; Amić, D.; Mihalić, Z. The Laplacian matrix in chemistry. J. Chem. Inf. Comput. Sci. 1994, 34, 368-376.
24. Randić, M. Hosoya matrix - a source of new molecular descriptors. Croat. Chem. Acta 1994, 67, 415-429.
25. Diudea, M. V. Cluj matrix invariants. J. Chem. Inf. Comput. Sci. 1997, 35, 300-305.
26. Diudea, M. V.; Minailiuc, O. M.; Katona, G.; Gutman, I. Szeged matrices and related numbers. MATCH 1997, 35, 129-143.
27. Diudea, M. V.; Minailiuc, O. M.; Nikolić, S.; Trinajstić, N. Matrices of reciprocal distance. MATCH 1997, 35, in press.
28. Randić, M.; DeAlba, L. M. Dense graphs and sparse matrices. J. Chem. Inf. Comput. Sci. 1997, 37, 1078-1081.
29. Nikolić, S.; Trinajstić, N.; Jurić, A.; Mihalić, Z.; Krilov, G. Complexity of some interesting (chemical) graphs. Croat. Chem. Acta 1996, 69, 883-897.
30. Mohar, B.; Babić, D.; Trinajstić, N. A novel definition of the Wiener index for trees. J. Chem. Inf. Comput. Sci. 1993, 33, 153-154.
31. John, P.; Sachs, H. Calculating the number of perfect matching and of spanning trees, Pauling's orders, the characteristic polynomial and the eigenvectors of a benzenoid system. Topic Current Chem. 1990, 153, 145-179.
32. Derflinger; Polansky, O. E. Int. J. Quant. Chem.
33. Randić, M. Conjugated circuits and resonance energies of benzenoid hydrocarbons. Chem. Phys. Lett. 1975, 38, 68-70.
34. Randić, M. A graph theoretical approach to conjugation and resonance energies of hydrocarbons. Tetrahedron 1977, 33, 1905-1920.
35. Randić, M. Aromaticity and conjugation. J. Am. Chem. Soc. 1977, 99, 444-450.
36. Gutman, I.; Randić, M. A correlation between Kekule valence structures and conjugated circuits. Chem. Phys. 1979, 41, 265-270.
37. Randić, M. Resonance energy of very large benzenoid hydrocarbons. Int. J. Quant. Chem. 1980, 17, 549-586.
38. Krygowski, T. M.; Cyranski, M.; Ciesleski, A.; Swirska, B.; Leszczynski, P. Separation of the energetic and geometric contributions to aromaticity. 2. Analysis of the aromatic character of benzene rings in their various topological environments in benzenoid hydrocarbons. Crystal and molecular structure of coronene. J. Chem. Inf. Comput. Sci. 1996, 36, 1135-1141.
39. Randić, M. Ring ID numbers. J. Chem. Inf. Comput. Sci. 1986, 26, 142-147.
40. Lipkus, A. H.; A ring-imbedding index and the use in substructure searching. J. Chem. Inf. Comput. Sci. 1997, 37, 92-97.