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molecular formulamolecular graph theory
molecular graph
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.
Source:
PAC, 1999, 71, 1919 (Glossary of terms used in theoretical organic chemistry) on page 1951
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Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A.Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook.
Last update: 2008-10-07; version: 2.0.2.
DOI of this term: doi:10.1351/goldbook.MT07069.
Original PDF version (may be out of date): http://www.iupac.org/goldbook/MT07069.pdf.
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