engleski

Compact Molecular Codes for Polycyclic Systems

The recently introduced concept of compact molecular codes is presented in some detail. This is a structural code based on an extension of the N-tuple code of Knop and co-workers, which applies only to acyclic structures. By excising selected vertices in a polycyclic graph, one arrives at a spanning subtree for the graph for which an N-tuple code is adopted. Then, such an incomplete code is augmented by listing of adjacencies for the vertices, which represent ring closures. The application of cornpact molecular codes to polycyclic systems such as benzenoids is described. A comparison of the compact codes with boundary codes is given for benzenoid hydrocarbons.

compact molecular codes ; polycyclic systems

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