Download Computational Chemical Graph Theory: Characterization, by N. Trinajstic, S. Nikolic, J. V. Knop, W. R. Muller, K. PDF

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

Computational Chemical Graph conception: Characterization, Enumeration, and iteration of Chemical buildings through laptop tools (Ellis Horwood) (1991)

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T. Tutte, Proc. Cambridge Phil. , 44, 463 (1948). [53] R. B. Mallion, Proc. Roy. Soc. (London), A341, 429 (1975). [54] C. W. Haigh & R. B. , 13, 303 (1979). [55] C. W. Haigh & R. B. Mallion, Croat. Chem. Acta, 62, 1 (1989). [56] F. T. Smith, J . Chem. , 34, 793 (1961). [57] O. E. Polansky & D. H. Rouvray, Math. Chem. (Miilheim/Ruhr), 2, 63 (1976). [58] A. T. Balaban, Tetrahedron, 25, 2949 (1969). [59] A. T. Balaban, Math. Chem. (Miilheim/Ruhr), 2, 51 (1976). [60] A. T. Balaban, in Chemical applications of graph theory (A.

The binary boundary codes are, however, more efficient than the Molecular codes 56 [Ch. 2 1111010111001110111000 65656 1 2 321 6 1 2 3 2 3 4 54 3 4 5 Fig. 15 — The boundary code and the binary boundary code for benzo[a]perylene. The single asterisk denotes the vertex at which the binary boundary code starts anticlockwise. Two asterisks denote the bond whose label corresponds to the first digit in the boundary code. boundary codes in the sense that each element of the binary code takes only two values, rather than six as in the boundary code.

Sec. 2] 41 The N-tuple code An important property of the N-tuple codes is that they order acyclic structures according to their skeletal branching. Branching in a graph can be identified through the appearance of branched vertices at the sites of ramification [18]. Branched vertices have valencies with values 3 or higher. Therefore in graph-theoretical terms branching is the pattern of valencies exhibited by a tree. It has been established that branching in a molecular skeleton is reflected in the corresponding molecular properties [19-21].

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