Chemical graph theory: Difference between revisions
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'''Chemical graph theory''' is the [[topology (chemistry)|topology]] branch of [[mathematical chemistry]] which applies [[graph theory]] to [[mathematical modelling]] of chemical phenomena.<ref>Danail Bonchev, D.H. Rouvray (eds.) (1991) "Chemical Graph Theory: Introduction and Fundamentals", {{ISBN|0-85626-454-7}}</ref> |
'''Chemical graph theory''' is the [[topology (chemistry)|topology]] branch of [[mathematical chemistry]] which applies [[graph theory]] to [[mathematical modelling]] of chemical phenomena.<ref>Danail Bonchev, D.H. Rouvray (eds.) (1991) "Chemical Graph Theory: Introduction and Fundamentals", {{ISBN|0-85626-454-7}}</ref> |
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The pioneers of the chemical graph theory are [[Alexandru Balaban]], [[Ante Graovac]], [[Ivan Gutman]], [[Haruo Hosoya]], [[Milan Randić]] and [[Nenad Trinajstić]]<ref>[http://public.carnet.hr/ccacaa/CCA-PDF/cca2004/v77-n1_n2/CCA_77_2004_1-15_randic.pdf Nenad |
The pioneers of the chemical graph theory are [[Alexandru Balaban]], [[Ante Graovac]], [[Ivan Gutman]], [[Haruo Hosoya]], [[Milan Randić]] and [[Nenad Trinajstić]]<ref>[http://public.carnet.hr/ccacaa/CCA-PDF/cca2004/v77-n1_n2/CCA_77_2004_1-15_randic.pdf Nenad Trinajstić – Pioneer of Chemical Graph Theory] {{webarchive|url=https://web.archive.org/web/20090718185836/http://public.carnet.hr/ccacaa/CCA-PDF/cca2004/v77-n1_n2/CCA_77_2004_1-15_randic.pdf |date=2009-07-18 }}, by [[Milan Randić]]</ref> (also [[Wiener index|Harry Wiener]] and others). |
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In 1988, it was reported that several hundred researchers worked in this area producing about 500 articles annually. A number of monographs have been written in the area, including the two-volume comprehensive text by |
In 1988, it was reported that several hundred researchers worked in this area producing about 500 articles annually. A number of monographs have been written in the area, including the two-volume comprehensive text by Trinajstić, ''Chemical Graph Theory'', that summarized the field up to mid-1980s.<ref>[https://www.jstor.org/stable/2030836 A review] of the book by Ivan Gutman, Oskar E. Polansky, "Mathematical Concepts in Organic Chemistry" in ''[[SIAM Review]]'' Vol. 30, No. 2 (1988), pp. 348-350</ref> |
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The adherents of the theory maintain that the properties of a [[chemical graph]] (i.e., a graph-theoretical representation of a [[molecule]]) give valuable insights into the chemical phenomena. Others contend that graphs play only a fringe role in chemical research.<ref>D.H. Rouvray, "Combinatorics in Chemistry", pp. 1955-1982, in: [[Ronald Graham]], [[Martin Grötschel]], [[László Lovász]] (Eds.) (1996) ''[[Handbook of Combinatorics]],'' vol. II, {{ISBN|0-262-07169-X}}</ref> One variant of the theory is the representation of materials as infinite [[Euclidean graph]]s, particularly crystals by [[Periodic Graphs (Crystallography)|periodic graphs]]. |
The adherents of the theory maintain that the properties of a [[chemical graph]] (i.e., a graph-theoretical representation of a [[molecule]]) give valuable insights into the chemical phenomena. Others contend that graphs play only a fringe role in chemical research.<ref>D.H. Rouvray, "Combinatorics in Chemistry", pp. 1955-1982, in: [[Ronald Graham]], [[Martin Grötschel]], [[László Lovász]] (Eds.) (1996) ''[[Handbook of Combinatorics]],'' vol. II, {{ISBN|0-262-07169-X}}</ref> One variant of the theory is the representation of materials as infinite [[Euclidean graph]]s, particularly crystals by [[Periodic Graphs (Crystallography)|periodic graphs]]. |
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Revision as of 15:49, 9 December 2019
Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena.[1] The pioneers of the chemical graph theory are Alexandru Balaban, Ante Graovac, Ivan Gutman, Haruo Hosoya, Milan Randić and Nenad Trinajstić[2] (also Harry Wiener and others). In 1988, it was reported that several hundred researchers worked in this area producing about 500 articles annually. A number of monographs have been written in the area, including the two-volume comprehensive text by Trinajstić, Chemical Graph Theory, that summarized the field up to mid-1980s.[3]
The adherents of the theory maintain that the properties of a chemical graph (i.e., a graph-theoretical representation of a molecule) give valuable insights into the chemical phenomena. Others contend that graphs play only a fringe role in chemical research.[4] One variant of the theory is the representation of materials as infinite Euclidean graphs, particularly crystals by periodic graphs.
See also
References
- ^ Danail Bonchev, D.H. Rouvray (eds.) (1991) "Chemical Graph Theory: Introduction and Fundamentals", ISBN 0-85626-454-7
- ^ Nenad Trinajstić – Pioneer of Chemical Graph Theory Archived 2009-07-18 at the Wayback Machine, by Milan Randić
- ^ A review of the book by Ivan Gutman, Oskar E. Polansky, "Mathematical Concepts in Organic Chemistry" in SIAM Review Vol. 30, No. 2 (1988), pp. 348-350
- ^ D.H. Rouvray, "Combinatorics in Chemistry", pp. 1955-1982, in: Ronald Graham, Martin Grötschel, László Lovász (Eds.) (1996) Handbook of Combinatorics, vol. II, ISBN 0-262-07169-X
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