Chemical graph theory

In today's world, Chemical graph theory has become a topic of great relevance and interest to a wide range of people. Whether due to its impact on society, its importance in the workplace or its relevance in history, Chemical graph theory has captured the attention of many and has generated intense debate in various circles. In this article, we will explore the different aspects of Chemical graph theory, analyzing its influence in the past, present and future. From its origins to its possible long-term implications, we will delve into the world of Chemical graph theory to better understand its scope and meaning.

Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena. The pioneers of chemical graph theory are Alexandru Balaban, Ante Graovac, Iván Gutman, Haruo Hosoya, Milan Randić and Nenad Trinajstić (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.

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. One variant of the theory is the representation of materials as infinite Euclidean graphs, particularly crystals by periodic graphs.

See also

References

  1. ^ Danail Bonchev, D.H. Rouvray (eds.) (1991) "Chemical Graph Theory: Introduction and Fundamentals", ISBN 0-85626-454-7
  2. ^ Nenad Trinajstić – Pioneer of Chemical Graph Theory Archived 2009-07-18 at the Wayback Machine, by Milan Randić
  3. ^ 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
  4. ^ 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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