A natural graph-theory model for partition and kinetic coefficients

New Journal of Chemistry

Volumn 29, Issue 8, 2005, Pages 1082-1088

  Pogliani, Lionello ^a,b  

^a UNIVERSITY OF CALABRIA   (Italy)

^b UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

1,2 DIBROMOETHANE; 1,2 DICHLOROETHYLENE; HALIDE;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL REACTION KINETICS; ELECTRON; HYDROGEN BOND; PARTITION COEFFICIENT; PLOTS AND CURVES; PRIORITY JOURNAL; QUANTUM THEORY;

EID: 24044528830     PISSN: 11440546     EISSN: 13699261     Source Type: Journal    
DOI: 10.1039/b506091p     Document Type: Article

References (32)

1. L. Pogliani, New J. Chem., 2003, 27, 919.
2. L. Pogliani, J. Comput. Chem., 2003, 24, 1097.
3. L. Pogliani, Int. J. Quant. Chem., 2005, 102, 38.
4. L. Pogliani, J. Chem. Inf. Comput. Sci., 2004, 44, 42.
5. L. Pogliani, Croat. Chem. Acta, 2004, 77, 193.
6. F. Harary, Graph Theory, Addison-Wesley, Reading, MA, 2nd edn, 1971.
7. L. B. Kier and L. H. Hall, Molecular Connectivity in Structure-Activity Analysis, Wiley, New York, 1986.
8. L. B. Kier and L. H. Hall, Molecular Structure Description. The Electrotopological State, Academic Press, New York, 1999.
9. M. L. Cargas, P. G. Seybold and M. E. Andersen, Toxicol. Lett., 1988, 43, 235.
10. K.-U. Gass and R. P. Schwarzenbach, J. Chem. Educ., 2003, 80, 450.
11. M. Randić, J. Am. Chem. Soc., 1975, 97, 6609.
12. A. T. Balaban, Chemical Applications of Graph Theory, Academic Press, New York, 1986.
13. A. T. Balaban, J. Chem. Inf. Comput. Sci., 1985, 29, 334.
14. M. Randić and N. Trinajstić, Croat. Chem. Acta, 1989, 185, 187.
15. N. Trinastić, Chemical graph Theory, CRC Press, Boca Raton, FL, 1992.
16. F. Harary and R. Read, Proceedings of the Graphs and Combinatorics Conference, George Washington University, Springer, New York, 1977,
17. cited in J. D. Barrow, The Book of Nothing, Vintage Books, New York, 2000, p. 155.
18. L. Pogliani, Chem. Rev., 2000, 100, 3827.
19. L. Pogliani, J. Chem. Inf. Comput. Sci., 2001, 41, 836.
20. L. Pogliani, J. Phys. Chem., 2000, 104, 9029.
21. L. Pogliani, J. Mol. Struct. (THEOCHEM), 2002, 581, 87.
22. R. Carbó-Dorca, D. Robert, Ll. Amat, X. Girones and E. Besalu, Molecular Quantum Similarity in QSAR and Drug Design, Springer, Berlin, 20000.
23. Z. Mihalić, S. Nikolić and N. Trinastić, J. Chem. Inf. Comput. Sci., 1992, 32, 28.
24. S. C. Peterangelo and P. G. Seybold, Int. J. Quant. Chem., 2004, 96, 1.
25. L. Pogliani, Adv. Quant. Chem., in press.
26. L. Pogliani, private results.
27. B. D. Gute, G. D. Grunwald and S. C. Basak, SAR QSAR Environ. Res., 1999, 10, 1.
28. S. C. Basak, B. D. Gute, D. Mills and D. M. Hawkins, J. Mol. Struct. (THEOCHEM), 2002, 622, 127.
29. S. C. Basak, D. Mills, D. M. Hawkins and H. A. El-Masri, SAR QSAR Environ. Res., 2002, 13, 649, and references therein.
30. S. C. Basak, B. D. Gute, D. Mills and D. M. Hawkins, J. Mol. Struct. (THEOCHEM), 2002, 622, 127.
31. P. G. Seybold, SAR QSAR Environ. Res., 1999, 10, 101.
32. B. Ren, J. Comput. Aided Mol. Des., 2003, 17, 607.