Topological index and thermodynamic properties. 5. How can we explain the topological dependency of thermodynamic properties of alkanes with the topology of graphs?

Journal of Chemical Information and Computer Sciences

Volumn 39, Issue 2, 1999, Pages 192-196

  Hosoya, Haruo ^a   Gotoh, Machiko ^a   Murakami, Miyuki ^a   Ikeda, Shigeko ^a  

^a OCHANOMIZU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000098839     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci980058l     Document Type: Article

References (23)

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2. Hosoya, H. Topological index. A newly proposed quantity characterizing the topological nature of structural isomers of saturated hydrocarbons. Bull. Chem. Soc. Jpn. 1971, 44, 2332-2339.
3. Rouvray, D. H. The Topological Matrix in Quantum Chemistry. In Chemical Application of Graph Theory; Balaban, A. T., Ed.; Academic Press: London, 1976; pp 175-221.
4. Trinajistić, N. Chemical Graph Theory, 1st ed.; CRC Press: Boca Raton, FL, 1983.
5. Balaban, A. T.; Motoc, I.; Bonchev, D.; Mekenyan, O. Topological indices for structure-activity correlations. Top. Curr. Chem. 1983, 114, 21-25.
6. Hosoya, H. On some counting polynomials in chemistry. Discrete Appl. Math. 1988, 19, 239-257.
7. Hosoya, H. Introduction to Graph Theory. In Graph Theoretical Approaches to Chemical Reactivity; Bonchev, D., Mekenyan, O., Eds.; Kluwer Academic Pub.: Dordrecht, The Netherlands, 1994; pp 1-36.
8. Gutman, I.; Polansky, O. E. Mathematical Concepts in Organic Chemistry, Springer: Berlin, 1986.
9. Hosoya, H.; Kawasaki, K.; Mizutani, K. Topological index and thermodynamic properties. I. Empirical rules on the boiling point of saturated hydrocarbons. Bull. Chem. Soc. Jpn. 1972, 45, 3415-3421.
10. Narumi, H.; Hosoya, H. Topological index and thermodynamic properties. II. analysis of the topological factors on the absolute entropy of acyclic saturated hydrocarbons. Bull. Chem. Soc. Jpn. 1980, 53, 1228-1237.
11. Narumi, H.; Hosoya, H. Topological index and thermodynamic properties. III. classification of various topological aspects of properties of acyclic saturated hydrocarbons. Bull. Chem. Soc. Jpn. 1985, 58, 1778-1786.
12. Gao, Y.-D.; Hosoya, H. Topological index and thermodynamic properties. IV. Size dependency of the structure-activity correlation of alkanes. Bull. Chem. Soc. Jpn. 1988, 61, 3093-3102.
13. Hosoya, H.; Murakami, M.; Gotoh, M. Distance polynomial and characterization of a graph. Natl Sci. Rept. Ochanomizu Univ. 1973, 24, 27-34.
14. Hosoya, H.; Nagashima, U.; Hyugaji, S. Topological twin graphs. Smallest pair of isospectral polyhedral graphs with eight vertexes. J. Chem. Inf. Comput. Sci. 1994, 34, 428-431.
15. This concept was originally born in the author's group more than 20 years ago, but for some reason it was allowed to be buried deeply under a pile of files.
16. Hosoya, H. Topological index and Fibonacci numbers with relation to chemistry, Fibonacci Q. 1973, 11, 255-266.
17. Polansky, O. E.; Randić, M.; Hosoya, H. Transfer matrix approach to the Wiener number of catacondensed benzenoids. MATCH (Math. Chem.) 1989, 24, 3-28.
18. Gutman, I. Wiener numbers of benzenoid hydrocarbons: Two theorems. Chem. Phys. Lett. 1987, 136, 134-136.
19. Merrifield, R. E.; Simmons, H. E. Theor. Chim. Acta 1980, 55, 55-75.
20. Gutman, I.; Hosoya, H.; Uraković, G.; Ristić, L. Two variants of the topological index and the relations between them. Bull. Chem. Soc. Jpn. 1992, 65, 14-18.
21. Randić, M. Orthosimilarity. J. Chem. Inf. Comput. Sci. 1996, 36, 1092-1097.
22. Randić, M. On Characterization of chemical structure. J. Chem. Inf. Comput. Sci. 1997, 37, 672-687.
23. Data were taken from American Petroleum Institute Research Project 44 at the National Bureau of Standards, Selected Values of Physical and Thermodynamic Properties of Hydrocarbons. Texas A&M University, 1945.