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Graph theoretical invariants and elementary subgraphs of polyhex and polypent/polyhex systems of chemical relevance
1996
Discrete Applied Mathematics
Starting with the major graph theoretical invariants of n = No. of vertices (points), 9 = No. of edges (lines), and r = No. of rings (independent circuits) and Euler's fundamental equation of (1. + 1)q + n = 2, a myriad of invariants have evolved for describing the properties of molecular graphs (graphs representing molecules). The concepts of the aufbau principle, a periodic table set, the excised internal structure (a type of subgraph), the circumscribing operation, and the leapfrog operation
doi:10.1016/0166-218x(95)00012-g
fatcat:k7bknejbdjffrcl55vcj3kbv3q