" /> molecular graph - CISMeF





Preferred Label : molecular graph;

IUPAC definition : The graph with differently labelled (coloured) vertices (chromatic graph) which represent different kinds of atoms and differently labelled (coloured) edges related to different types of bonds. Within the topological electron distribution theory, a complete network of the bond paths for a given nuclear configuration.;

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The graph with differently labelled (coloured) vertices (chromatic graph) which represent different kinds of atoms and differently labelled (coloured) edges related to different types of bonds. Within the topological electron distribution theory, a complete network of the bond paths for a given nuclear configuration.

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30/07/2025


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