Structural, electronic and QSAR properties of the cyfluthrin molecule: A theoretical ami and PM3 treatment

International Journal of Modern Physics C

Volumn 17, Issue 10, 2006, Pages 1391-1402

  Çalişir, Emine Deniz ^a   Erkoç, Şakir ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

Author keywords

AM1 and PM3 calculatios; Cyfluthrin; QSAR; Semi empirical methods

Indexed keywords

EID: 33750571444     PISSN: 01291831     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0129183106009904     Document Type: Article

References (14)

1. http://www.inchem.org/documents/jecfa/jecmono/v39je08.htm
2. http://extoxnet.orst.edu/pips/cyfluthr.htm and references therein.
3. U. Burkert and N. L. Allinger, Molecular Mechanics (ACS Monograph 177, 1982).
4. N. L. Allinger, J. Am. Chem. Soc. 99, 8127 (1977).
5. J. J. P. Stewart, J. Comput. Aided Molec. Design 4, 1 (1985).
6. J. J. P. Stewart, J. Comput. Chem. 10, 209 (1989).
7. C. C. J. Roothaan, Rev. Mod. Phys. 23, 69 (1951).
8. P. Fletcher, Practical Methods of Optimization (Wiley, 1990).
9. Hypercube, Inc., Gainesville, FL, USA.
10. A. P. Scott and L. Radom, J. Phys. Chem. 100, 16502 (1996).
11. http://jchemed.chem.wisc.edu/JCEWWW/Articles/WWW0001/index.html
12. M. K. Awad, K. S. Khairou and M. A. Diab, Polymer Degrad. Stability 46, 165 (1994).
13. M. Watanabe, D. Ishimaru, N. Mizorogi, M. Kiuchi and J. Aihara, J. Mol. Struct. (Theochem) 726, 11 (2005).
14. http://elib.tu-darmstadt.de/diss/000409/Thesis-Perruchon-2004-D-AllTeil. pdf