molecular graph

https://doi.org/10.1351/goldbook.MT07069
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 @NT07562@ of the bond paths for a given nuclear configuration.
Source:
PAC, 1999, 71, 1919. (Glossary of terms used in theoretical organic chemistry) on page 1951 [Terms] [Paper]
Citation: 'molecular graph' in IUPAC Compendium of Chemical Terminology, 3rd ed. International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. https://doi.org/10.1351/goldbook.MT07069 RIS BibTex EndNote
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Last revised: February 24, 2014