Skip to main content
SpringerLink
Log in

The Molecular Graphs

  • Chapter
Synthon Model of Organic Chemistry and Synthesis Design

Part of the book series: Lecture Notes in Chemistry ((LNC,volume 51))

  • 130 Accesses

Abstract

The purpose of this chapter is to present basic concepts of graph theory [1] as applied to organic chemistry [2–6]. The importance of graph theory in this large branch of chemistry consists in the existence of the phenomena of the structural formula and its isomerism. Organic chemists have unconsciously used graph theory concepts for more than one hundred years, just as Molière’s “bourgeois gentilhomme” was speaking prose without realizing it (cited after Ba-laban [7]).

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 84.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 109.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References (Chapter 2)

  1. Harary F (1969) Graph theory, Addison-Wesley, Reading, MA

    Google Scholar 

  2. Balaban AT (ed) (1976) Chemical applications of graph theory, Academic Press, London

    Google Scholar 

  3. Trinajstic’ N (1983) Chemical graph theory, CRC Press, Boca Raton, FL, vols 1 and 2

    Google Scholar 

  4. King RB (ed) (1983) Chemical applications of topology and graph theory, Elsevier, Amsterdam

    Google Scholar 

  5. Gutman I, Polansky OE (1986) Mathematical concepts in organic chemistry, Springer, Berlin Heidelberg New York

    Book  Google Scholar 

  6. Trinajstic’ N (ed) (1986) Mathematics and computational concepts in chemistry, Ellis Harwood, Chichester, U.K.

    Google Scholar 

  7. Balaban AT (1985) J. Chem. Inf. Comp. Sci. 25:334

    Article  CAS  Google Scholar 

  8. Kvasnička V (1983) Coll. Czech. Chem. Commun. 48:2097

    Article  Google Scholar 

  9. Kvasnička V (1983) Coll. Czech. Chem. Commun. 48:2118

    Article  Google Scholar 

  10. Kvasnička V, Kratochvíl M, Koča J (1983) Coll. Czech. Chem. Commun. 48:2284

    Article  Google Scholar 

  11. Kvasnička V (1984) Coll. Czech. Chem. Commun. 49:1090

    Article  Google Scholar 

  12. Dugundji J, Ugi I (1973) Top. Curr. Chem. 39:19

    CAS  Google Scholar 

  13. Ugi I, Bauer J, Brandt J, Friedrich J, Gasteiger J, Jochum C, Schubert W (1979) Angew. Chem. Int. Ed. Engl. 18:111

    Article  Google Scholar 

  14. Baláž V, Koča J, Kvasnička V, Sekanina M (1986) Časopis pro pěstování matematiky (in Czech) 111:431

    Google Scholar 

  15. Baláž V, Kvasnička V, Pospíchal J (1989) Časopis pro pěstování matematiky (in press).

    Google Scholar 

  16. Jochum C, Gasteiger J, Ugi I, Dugundji J (1982) Z. Naturforschung 37b:1205

    CAS  Google Scholar 

  17. Koča J (1989) Coll. Czech. Chem. Commun. (in press)

    Google Scholar 

  18. Koča J (1989) J. Math. Chem. (in press)

    Google Scholar 

  19. McGregor JJ (1982) Software Pract. Exper. 12:23

    Article  Google Scholar 

  20. House HO (1972) Modern synthetic reactions, Benjamin, Menlo Park

    Google Scholar 

  21. Hückel W (1952) Theoretische Grundlagen der organischen Chemie, Akademie Verlag Press., Leipzig, vol 1

    Google Scholar 

  22. Wheland GW, Advanced organic chemistry (1962) John Wiley, New York

    Google Scholar 

  23. Fontain E, Bauer J, Ugi I (1987) Chem. Letters:37

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Organic Chemistry, J.E. Purkyně University, CSSR-611 37, Brno, Czechoslovakia

    J. Koča

  2. Research Institute of Pure Chemicals, Lachema, CSSR-621 33, Brno, Czechoslovakia

    M. Kratochvíl & L. Matyska

  3. Department of Mathematics, Slovak Technical University, CSSR-812 37, Bratislava, Czechoslovakia

    V. Kvasnička & J. Pospíchal

Authors
  1. J. Koča
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. M. Kratochvíl
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. L. Matyska
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. V. Kvasnička
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. J. Pospíchal
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

Copyright information

© 1989 Springer-Verlag Berlin Heidelberg

About this chapter

Cite this chapter

Koča, J., Kratochvíl, M., Matyska, L., Kvasnička, V., Pospíchal, J. (1989). The Molecular Graphs. In: Synthon Model of Organic Chemistry and Synthesis Design. Lecture Notes in Chemistry, vol 51. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-93416-2_2

Download citation

  • DOI: https://doi.org/10.1007/978-3-642-93416-2_2

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-50932-5

  • Online ISBN: 978-3-642-93416-2

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation