ON SOME SOLVED AND UNSOLVED PROBLEMS OF CHEMICAL GRAPH-THEORY Academic Article uri icon

abstract

  • The development of several novel graph theoretical concepts and their applications in different branches of chemistry are reviewed. After a few introductory remarks we follow with an outline of selected important graph theoretical invariants, introducing some new results and indicating some open problems. We continue with discussing the problem of graph characterization and construction of graphs of chemical interest, with a particular emphasis on large systems. Finally we consider various problems and difficulties associated with special subgraphs, including subgraphs representing Kekul valence structures. The paper ends with a brief review of structureproperty and structureactivity correlations, the topic which is one of prime motivations for application of graph theory to chemistry. Copyright 1986 John Wiley & Sons, Inc.

published proceedings

  • INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

altmetric score

  • 3

author list (cited authors)

  • TRINAJSTIC, N., KLEIN, D. J., & RANDIC, M.

citation count

  • 42

complete list of authors

  • TRINAJSTIC, N||KLEIN, DJ||RANDIC, M

publication date

  • March 1986

publisher