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

Computational Chemical Graph conception: Characterization, Enumeration, and iteration of Chemical buildings by means of laptop equipment (Ellis Horwood) (1991)

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Additional resources for Computational Chemical Graph Theory: Characterization, Enumeration, and Generation of Chemical Structures by Computer Methods

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This statement, which becomes immediately clear on inspection of a polyhex, means that the boundary code includes complete information about the structure of the polyhex. On the other hand the adjacency matrix of a polyhex also contains complete information about the structure of the polyhex. Therefore it must be possible to compute the adjacency matrix from the boundary code. Consider the polyhex G given in Fig. 11. To construct the adjacency matrix of G in a convenient way for the present purpose this polyhex is depicted in the (x,y)plane [44] (see Fig.

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Gutman & N. Trinajstic, Topics Curr. Chem, 42, 49 (1973). J. Malkevitch & W. Meyer, Graphs, models and finite mathematics, PrenticeHall, Englewood Cliffs, NJ (1974). [6] N. L. Biggs, E. K. Lloyd, & R. J. Wilson, Graph theory 1736-1936, Clarendon Press, Oxford (1976). 34 Graph-theoretical concepts and definitions [Ch. 1 [7] A. T. ), Chemical applications of graph theory, Academic Press, London (1976). [8] G. Chartrand, Graphs as mathematical models, Prindle, Weber and Schmidt, Boston (1977). [9] R.

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