Using AM1 Hamiltonian in quantitative structure-properties relationship studies of alkyl (1-Phenylsulfonyl)cycloalkane-carboxylates

Chemosphere

Volumn 33, Issue 3, 1996, Pages 537-546

  Chen, Jingwen ^a   Feng, Liu ^a   Liao, Yiyong ^a   Han, Suokui ^a   Wang, Liansheng ^a   Hu, Huaiming ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACID DERIVATIVE;

ADSORPTION; AQUEOUS SOLUTION; ARTICLE; MODEL; PARTITION COEFFICIENT; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SOLVATION;

EID: 0029999897     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/0045-6535(96)00197-X     Document Type: Article

References (30)

1. G. N. Burkhardt, Nature (London), 17, 684(1935)
2. L. P. Hammett, Chem. Rev., 17, 125(1935)
3. L. P. Hammett, J. Am. Chem. Soc., 59, 96(1937)
4. O. Exner, in Correlation Analysis of Chemical Data, edited by J. Shorter, Plenum Press, New York (1988)
5. M. J. Kamlet, R. W. Taft, and J-L. M. Abboud, J. Am. Chem. Soc., 91, 8325(1977)
6. M. J. Kamlet, R. M. Doherty, J-L. M. Abboud, M. H. Abraham, and R. W. Taft, CHEMTECH, 16, 566(1986)
7. M. J. Kamlet, R. M. Doherty, M. H. Abraham, Yizhak Marcus, and R. W. Taft, J. Phys. Chem., 92, 5244(1988)
8. P. C. Sadek, P. W. Carr, R. M. Doherrty, M. J. Kamlet, R. W. Taft, and M. H. Abraham, Anal. Chem., 57, 2971(1985)
9. M. J. Kamlet, R. M. Doherty, G. D. Veith, R. W. Taft, and M. H. Abraham, Environ. Sci. Technol., 20, 690(1986)
10. M. J. Kamlet, R. M. Doherty, R. W. Taft, M. H. Abraham, G. D. Veith, and D. J. Abraham, Environ. Sci. Technol., 21, 149(1987)
11. D. J. W. Blum, and R. E. Speece, Environ. Sci. Technol., 24, 284(1990)
12. D. F. V. Lewis, J. Comput. Chem., 10, 145(1989)
13. Stefan Baj, and Malgorzata Dawid, Journal of Liquid Chromatography, 17, 3933(1994)
14. C. Hansch, and E. Coats, J. Pharm. Sci., 59, 731(1970)
15. T. Nevalainen, and E. Kolehaminen, Environ. Toxicol. Chem. 13, 1699(1994)
16. O. G. Mekenyan, G. T. Ankley, G. D. Veith, D. J. Call, Chemosphere, 28, 567(1994)
17. Lu Xu, J. W. Ball, S. L. Dixon, and P. C. Jurs, Envoron. Toxicol. Chem., 13, 841(1994)
18. L. Y. Wilson, G. R. Famini, J. Med. Chem., 34, 1688(1991)
19. G. R. Famini, C. A. Penski, and L. Y. Wilson, J. Phy. Org. Chem., 5, 395(1992)
20. A. D. Headley, S. D. Starnes, L. Y. Wilson, and G. R. Famini, J. Org. Chem., 59, 8084(1994)
21. S. N. Pandeya, T. N. Ojha, V. Srivastava, J. Scient. Ind. Res., 44, 150(1985)
22. Y. B. He, L. S. Wang, Z. T. Liu, Z. Zhang, Chemosphere, 31, 2739(1995)
23. Tripos Associates, Inc. A modecular modeline system for the IBM PC, 1988
24. D. F. J. Shanno, J. of Optimization Theory and Applications, 46, 87(1990)
25. M. J. S. Dewar, E. G. Zoebisch, E. F. Healy, and J. J. Stewart, J. Am. Chem. Soc. 107, 3902(1985)
26. J. J. P. Stewart, MOPAC6, Frank J. Seiler Research Laboratory, U. S. Air Force Academy, Co.(1985)
27. STSC, Inc. and Statistical Graphics Corporation, STATGRAPHIC, Version 4.0, (Serial Number: 3017435), 1985
28. R. Kaliszan, Analytical Chemistry, 64, 619A(1992)
29. J. P. Hickey, D. R. Passino-Reader, Environ. Sci. Technol., 25, 1573(1991)
30. S. H. Yalkowsky, S. C. Valvani, J. Pharm. Sci., 69, 602(1980)