3D-QSPR modeling and prediction of nonlinear optical responses of organic chromophores

Chemometrics and Intelligent Laboratory Systems

Volumn 87, Issue 2, 2007, Pages 275-280

  Xu, Jie ^a   Chen, Biao ^b   Xu, Weilin ^a   Zhao, Sanping ^a   Yi, Changhai ^a   Cui, Weigang ^a  

^a WUHAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

Multilinear regression analysis; Nonlinear optical responses; Organic chromophores; QSPR; WHIM descriptors

Indexed keywords

ARTICLE; CHEMICAL STRUCTURE; CHROMATOPHORE; NONLINEAR SYSTEM; PREDICTION; PREDICTIVE VALIDITY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; RANDOMIZATION; STATISTICAL MODEL;

EID: 34248586635     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemolab.2007.03.006     Document Type: Article

References (40)

1. Shi Y.Q., Zhang C., Zhang H., Bechtel J.H., Dalton L.R., Robinson B.H., and Steier W.H. Science 288 (2000) 119-122
2. Parthenopoulos D.A., and Rentzepis P.M. Science 245 (1989) 843-845
3. Maruo S., Nakamura O., and Kawata S. Opt. Lett. 22 (1997) 132-134
4. Cumpston B.H., Ananthavel S.P., Barlow S., Dyer D.L., Ehrlich J.E., Erskine L.L., Heikal A.A., Kuebler S.M., Lee I.-Y.S., McCord-Maughon D., Qin J., Rockel H., Rumi M., Wu X.L., Marder S.R., and Perry J.W. Nature 398 (1999) 51-54
5. Kawata S., Sun H.-B., Tanaka T., and Takada K. Nature 412 (2001) 697-698
6. Moreaux L., Pons T., Dambrin V., Blanchard-Desce M., and Mertz J. Opt. Lett. 28 (2003) 625-627
7. Pons T., Moreaux L., Mongin O., Blanchard-Desce M., and Mertz J. J. Biomed. Opt. 8 (2003) 428-431
8. Burland D.M., Miller R.D., Reiser O., Twieg R.J., and Walsh C.A. J. Appl. Phys. 71 (1992) 410-417
9. Burland D.M., Miller R.D., and Walsh C.A. Chem. Rev. 94 (1994) 31-75
10. Dalton L.R., Harper A.W., Ghosn R., Steier W.H., Ziari M., Fetterman H., Shi Y., Mustacich R.V., Jen A.K.-Y., and Shea K.J. Chem. Mater. 7 (1995) 1060-1081
11. Pan Q., Fang C., Li F., Zhang Z., Qin Z., Wu X., Gu Q., and Yu J. Mater. Res. Bull. 37 (2002) 523-531
12. Nesterov V.V., Antipin M.Y., Nesterov V.N., Penn B.G., Frazier D.O., and Timofeeva T.V. Cryst. Growth. Des. 4 (2004) 521-531
13. Marder S.R., Beratan D.N., and Cheng L.T. Science 252 (1991) 103-106
14. Moylan C.R., Twieg R.J., Lee V.Y., Swanson S.A., Betterton K.M., and Miller R.D. J. Am. Chem. Soc. 115 (1993) 12599-12600
15. Moylan C.R., Ermer S., Lovejoy S.M., McComb I.-H., Leung D.S., Wortmann R.d., Krdmer P., and Twieg R.J. J. Am. Chem. Soc. 118 (1996) 12950-12955
16. Kim O.-K., Fort A., Barzoukas M., Blanchard-Descec M., and Lehna J.-M. J. Mater. Chem. 9 (1999) 2227-2232
17. Cho B.R., Park S.B., Lee S.J., Son K.H., Lee S.H., Lee M.-J., Yoo J., Lee Y.K., Lee G.J., Kang T.I., Cho M., and Jeon S.-J. J. Am. Chem. Soc. 123 (2001) 6421-6422
18. Ventelon L., Moreaux L., Mertz J., and Blanchard-Desce M. Synth. Met. 127 (2002) 17-21
19. Dehu C., Meyers F., and Bredas J.L. J. Am. Chem. Soc. 115 (1993) 6198-6206
20. Albert I.D.L., Marks T.J., and Ratner M.A. J. Am. Chem. Soc. 119 (1997) 6575-6582
21. Wang P., Zhu P., Ye C., Asato A.E., and Liu R.S.H. J. Phys. Chem., A 103 (1999) 7076-7082
22. Bartkowiak W., and Lipkowski P. J. Mol. Model. 11 (2005) 317-322
23. Wu H.Y., Chaudhari A., and Lee S.L. J. Comput. Chem. 26 (2005) 1533-1564
24. Yao X.J., Wang Y.W., Zhang X.Y., Zhang R.S., Liu M.C., Hu Z.D., and Fan B.T. Chemom. Intell. Lab. Syst., Lab. Inf. Manag. 62 (2002) 217-225
25. Oberg K., Berglund A., Edlund U., and Eliasson B. J. Chem. Inf. Comput. Sci. 41 (2001) 811-814
26. Figueiredo L.J.d.O., and Garridob F.M.S. J. Mol. Struct., Theochem. 539 (2001) 75-81
27. Lind P., Lopes C., Oberg K., and Eliasson B. Chem. Phys. Lett. 387 (2004) 238-242
28. Zeng X.D., Xu X., Wang B.F., and Wang B.C. Chin. Chem. Lett. 15 (2004) 753-756
29. Xu J., Guo B., Chen B., and Zhang Q. J. Mol. Model. 12 (2005) 65-75
30. Xu J., Zheng Z., Chen B., and Zhang Q. QSAR Comb. Sci. 25 (2006) 372-379
31. Balaban A.T. From Chemical Topology to Three-Dimensional Geometry (1997), Plenum Press, New York
32. Estrada E., and Molina E. J. Chem. Inf. Comput. Sci. 41 (2001) 791-797
33. http://www.cambridgesoft.com/.
34. http://www.hyper.com.
35. http://www.disat.unimib.it/chm/Dragon.htm.
36. Gramatica P., Navas N., and Todeschini R. Chemom. Intell. Lab. Syst., Lab. Inf. Manag. 40 (1998) 53-63
37. Gramatica P., Pilutti P., and Papa E. J. Chem. Inf. Comput. Sci. 44 (2004) 1794-1802
38. Jobson J.D. Applied multivariate Data Analysis, Vol. 1: Regression and Experimental Design (1991), Springer-Verlag, New York
39. Todeschini R., and Consonni V. Handbook of Molecular Descriptors (2000), Wiley-VCH, Weinheim
40. Zyss J., Chemla D.S., and Nicoud J.F. J. Chem. Phys. 74 (1981) 4800-4811