Abstract
In this paper, we develop a novel adjacency matrix, He-matrix, corresponding to the dualist graph. Without using the graph center concept, we advance a novel nomenclature of polycyclic aromatic hydrocarbons. Further, we derive some distinguishing theorems about PAH molecules and present some results of our automatic derivatization and automatic classification counting of fused PAH molecules.
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References
Cahn, R. S.: Introduction to chemical nomenclature (3rd ed.) London: Butterworths 1968
Dyson, G. W.: A new notation and enumeration system for organic compounds (2nd ed.) London: Longman 1949
IUPAC, Nomenclature Rules for Organic Compounds. London: Butterworths 1965
Patterson, A. M., Capell, L. T., Walker, D. F.: The ring index (2nd ed.) Washington, DC: American Chemical Society 1960
Index Guide Introduction. Chem. Abstr. 76 (1972)
Balaban, A. T., Harary, F.: Tetrahedron 24, 2505–2516 (1968)
Balaban, A. T.: Tetrahedron 25, 2949–2958 (1969)
Balaban, A. T. (ed.): Chemical Applications of graph theory. London: Academic Press 1976
Bonchev, D., Balaban, A. T., Mekenyan, O.: J. Chem. Inf. Comput. Sci. 20, 106–113 (1980)
Bonchev, D., Balaban, A. T., Randíc, M.: Int. J. Quantum Chem. 19, 61–82 (1981)
Bonchev, D., Balaban, A. T.: J. Chem. Inf. Comput. Sci. 21, 223–229 (1981)
Bonchev, D.: Pure and Appl. Chem. 55, No. 22, pp. 221–228 (1983)
Bondy, J. A., Murty, U. S. R.: Graph Theory with Applications. London: Macmillan 1976
Cioslowski, J., Turek, A. M.: Tetrahedron 40, 2161 (1984)
Whitney, H.: Am. J. Math. 54, 150 (1932)
Whitney, H.: Trans. Am. Math. Soc. 34, 339 (1932)
Whitney, H.: Fund. Math. 21, 73 (1933)
Polansky, O. E., Rouvray, D. H.: Math. Chem. 2, 147 (1976)
Polansky, O. E., Rouvary, D. H.: Math. Chem: 2, 63 (1976)
Balaban, A. T.: Rev. Roum. Chem. 26, 407 (1981)
Balaban, A. T.: Pure and Applied Chem. 54, 1075 (1982)
Coulson, C. A., Rushbrooke, G. S.: Proc. Cambridge Phil. Soc. 36, 193 (1940)
Harary, F.: Graph Theory. Reading: Addison-Wesley, MA 1972
Klarner, D. A.: Fibonacci Quart. 3, 9 (1965)
Klarner, D. A.: Can. J. Math. 19, 851 (1967)
Balaban, A. T.: Math. Chem. 2, 51 (1976)
Harary, F.: Read, R. C.: Proc. Edinburgh Math. Soc. 17, 1 (1970)
Lunnon, W. F.: Graph Theory and Computing, R. C. Read (ed.) New York: Academic Press 1972
Dias, J. R.: J. Chem. Inf. Comput. Sci. 22, 15, 139 (1982)
Dias, J. R.: Math. Chem. 14, 83 (1983)
Knop, J. V., Szymanski, K., Jericević, Z., Trinajstić, N.: Math. Chem. 16, 119 (1984)
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Wenchen, H., Wenjie, H. A novel nomenclature of polycyclic aromatic hydrocarbons without using graph centre. Theoret. Chim. Acta 68, 301–313 (1985). https://doi.org/10.1007/BF00527538
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DOI: https://doi.org/10.1007/BF00527538