Comparison between the vertex- and edge-connectivity indices for benzenoid hydrocarbons

Journal of Chemical Information and Computer Sciences

Volumn 38, Issue 1, 1998, Pages 42-46

  Nikolić, Sonja ^a   Trinajstić, Nenad ^a   Baučić, Ivo ^b  

^a RUDER BO KOVI INSTITUTE   (Croatia)

^b UNIVERSITY OF ZAGREB   (Croatia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001795159     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci970031m     Document Type: Review

References (16)

1. Randić, M. Quantitative Structure-Property Relationship. Boiling Points of Planar Benzenoids New J. Chem. 1996, 20, 1001-1009.
2. Estrada, E. Edge Adjacency Relationships and a Novel Topological Index Related to Molecular Volume. J. Chem. Inf. Comput. Sci. 1995, 35, 31-33.
3. Estrada, E. Edge Adjacency Relationships in Molecular Graphs Containing Heteroatoms: A New Topological Index Related to Molecular Volume. J. Chem. Inf. Comput. Sci. 1995, 35, 701-707.
4. Cash, G. G. Correlation of physicochemical properties of alkylphenols with their graph-theoretical ε parameter. Chemosphere 1995, 31, 4307-4315.
5. Nikolić, S.; Trinajstić, N. Modeling the Aqueous Solubility of Aliphatic Alcohols. SAR & QSAR, in press.
6. Randić, M. On Characterization of Molecular Branching. J. Am. Chem. Soc. 1975, 97, 6609-6615.
7. Trinajstić, N. Chemical Graph Theory; CRC: Boca Raton, FL, 1992.
8. Trinajstić, N.; Nikolić, S.; Knop, J. V.; Müller, W. R.; Szymanski, K. Computational Chemical Graph Theory: Characterization, Enumeration and Generation of Chemical Structures by Computer Methods; Horwood: Chichester, 1991; p 162.
9. Coulson, C. A.; Streitwieser, Jr., A. Dictionary of π-Electron Calculations; Freeman: San Francisco, 1965.
10. Basak, S. C.; Grunwald, G. D.; Niemi, G. J. Use of Graph-Theoretic and Geometrical Molecular Descriptors in Structure-Activity Relationships. In From Chemical Topology to Three-Dimensional Geometry, Balaban, A. T., Ed.; Plenum: New York, 1997; pp 73-116.
11. Pogliani, L. A Strategy for Molecular Modeling of a Physicochemical Property Using a Linear Combination of Connectivity Indexes. Croat. Chem. Acta 1996, 69, 95-109.
12. Randić, M.; Jeričević, Ž.; Sabljić, A.; Trinajstić, N. On the Molecular Connectivity and π-Electronic Energy in Polycyclic Hydrocarbons. Acta Phys. Polonica 1988, A47, 317-330.
13. Gupta, S. P.; Singh, P. The Relationship of π-Binding Energy with Molecular Connectivity in Hydrocarbons. Bull. Chem. Soc. Japan 1979, 52, 2745-2746.
14. Singh, V. K.; Tewari, V. P.; Gupta, D. K.; Srivastava, A. K. Calculation of Heat of Formation: Molecular Connectivity and IOC-ω Technique, A Comparative Study. Tetrahedron 1984, 40, 2859-2863.
15. Kier, L. B.; Hall, L. H. Molecular Connectivity in Structure-Analysis. Wiley: New York, 1986; p 16.
16. Krishna, B.; Gupta, S. P. ω-Type Calculations on π-Electron Systems with Inclusion of Overlap Charges. I. Ionization Potentials of Some Alternant Hydrocarbons. J. Am. Chem. Soc. 1970, 92, 7247-7448.