By International Society for the Philosophy of Chemistry; Joseph E. Earley, Sr.

ISBN-10: 1573314560

ISBN-13: 9781573314565

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Extra resources for Chemical Explanation (Annals of the New York Academy of Sciences, v. 988)

Sample text

An example of a general labelled graph is given in Figure 2. G Figure 2 A diagram of a labelled general graph G. A subgraph G' of a graph G is simply a graph whose all vertices and edges are contained in G. Subgraphs of G can be generated from G by deleting any number of vertices and/or edges. By definition a graph is its own subgraph. In Figure 3 we give several subgraphs ofG. Figure 3 Several subgraphs of a graph G. G2' and G6' are isomorphic subgraphs. Note that G1' is an acyclic spanning subgraph of G.

And Trinajstic, N. (1981) "Computer Enumeration and Generation of Trees and Rooted Trees", L. Chern. Inf. Comput. Sci. 21,91-99. , and Trinajstic, N. (1985) Computer Generation of Certain Classes of Molecules, SKTH, Zagreb. , and Trinajstic, N. H. ), Computational Chemical Graph Theory, Nova Sci. , New York. Kuratowski, K. ", Fund. Math 15, 271-283. H. (1968) Introduction to Combinatorial Mathematics, McGrawHill, New York. , and Hosoya, H. (1971) "Tables of NonAdjacent Numbers, Characterisitc Polynomials and Topological Indices.

1947) "Structural Determination of Paraffin Boiling Points", J. Am. Chern. Soc. 69, 17-20. B. " Jerome Karle (1987) 1. 1. g. 6-10 A pioneering work on the relationship between graph theory and the MO theory at the PPP level was recently accomplished by Balasubramanian. 11 The complexity of this analysis is much higher than that in the case of graph-theoretical analysis of Hiickel MO theory. However, this result is very valuable, because it shows that the graphtheoretical analysis of the MO theory at the higher levels of approximation is also * ** Dedicated to the memory of those brave Croatian men.

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Chemical Explanation (Annals of the New York Academy of Sciences, v. 988) by International Society for the Philosophy of Chemistry; Joseph E. Earley, Sr.


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