Read e-book online Computational Chemical Graph Theory: Characterization, PDF

By N. Trinajstic, S. Nikolic, J. V. Knop, W. R. Muller, K. Szymanski

Computational Chemical Graph conception: Characterization, Enumeration, and new release of Chemical constructions via computing device equipment (Ellis Horwood) (1991)

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Cvetkovic, M. Doob, I. Gutman, & A. Torgasev, Recent results in the theory of graph spectra, North-Holland, Amsterdam (1988). [17] N. J. Turro, Angew. Chem. Int. Edit. , 25, 882 (1986). [18] N. Trinajstic, in MATH/CHEM/COMP 1987 (R. C. ), Elsevier, Amsterdam (1988) 83. [19] J. J. Sylvester, Nature, 17, 284 (1877-8). [20] D. H. Rouvray,/. Mol. Struct. ( Theochem), 185, 1 (1989). [21] V. Prelog, Science, 193, 17 (1976). [22] A. T. Balaban, J. Chem. Inf. Comput. , 25, 334 (1985). [23] L. Spialter, J.

24) where s is the successor mapping and p the predecessor mapping. 4 THE BINARY BOUNDARY CODE The binary boundary code [17, 47-49] represents a set of binary values and was developed as a simpler alternative to the boundary code described in the preceding section. The binary boundary code was introduced for several reasons. This code was, for example, used by Knop etal. [17] to check the enumerations obtained by means of the boundary code for polyhexes and aza-polyhexes, whilst Herndon & Bruce [47, 48] were seeking to develop an efficient code for characterization of polyhexes and polyhex polymers.

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