A quantitative structure-property relationship study for refractive indices of conjugated polymers

Journal of Molecular Modeling

Volumn 13, Issue 5, 2007, Pages 573-578

  Gao, Jiangang ^a   Xu, Jie ^a,b   Chen, Biao ^a   Zhang, Qijin ^a  

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

^b WUHAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Conjugated polymers; Molecular descriptors; QSPR; Refractive index

Indexed keywords

POLYMER;

ANALYTICAL ERROR; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONTROLLED STUDY; CORRELATION ANALYSIS; INTERMETHOD COMPARISON; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; RANDOMIZATION; REGRESSION ANALYSIS; VALIDATION PROCESS;

DRUG STABILITY; FULLERENES; LIGHT; MACROMOLECULAR SUBSTANCES; MODELS, CHEMICAL; ORGANOPHOSPHORUS COMPOUNDS; POLYMERS; PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REFRACTOMETRY; SCATTERING, RADIATION;

EID: 34247639141     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0180-0     Document Type: Article

References (31)

1. Olshavsky M, Allcock HR (1997) Macromolecules 30:4179-4183
2. Zhan X, Liu Y, Zhu D, Huang W, Gong Q (2002) J Phys Chem B 108:1884-1888
3. Kuang L, Chen Q, Sargent EH, Wang ZY (2003) J Am Chem Soc 125:13648-13649
4. You W, Cao S, Hou Z, Yu L (2003) Macromolecules 36:7014-7019
5. Thomas SW, Swager TM (2005) Macromolecules 38:2716-2721
6. Yang L, Feng JK, Ren AM (2005) J Org Chem 70:5987-5996
7. Liu B, Bazan GC (2006) J Am Chem Soc 128:1188-1196
8. Knoll W (1998) Annu Rev Phys Chem 49:569-639
9. van Krevelen DW (1976) Properties of polymers: Correlation with chemical structure. Elsevier, Amsterdam
10. Yang CJ, Jenekhe SA (1995) Chem Mater 7:1276-1285
11. Devillers J, Balaban AT (1999) Topological Indices and Related Descriptors in QSAR and QSPR. Gordon and Breach, The Netherlands
12. Karelson M (2000) Molecular Descriptors in QSAR/QSPR. Wiley-Interscience, New York
13. Bicerano J (1996) Prediction of polymer properties. Marcel Dekker Inc, New York
14. Katritzky A, Sild S, Karelson M (1998) J Chem Inf Comput Sci 38:1171-1176
15. García-Domenech R, Julián-Ortiz JV (2002) J Phys Chem B 106:1501-1507
16. Xu J, Chen B, Zhang Q, Guo B (2004) Polymer 45:8651-8659
17. Yang C-J, Jenekhe SA (1994) Chem Mater 6:196-203
18. Balaban TS, Balaban AT, Bonchev D (2001) J Mol Struct (THEOCHEM) 535:81-92
19. http://www.talete.mi.it/dragon_exp.htm.
20. Todeschini R, Consonni V (2000) Handbook of Molecular Descriptors. Wiley-VCH, Weinheim
21. Jurs PC (1996) Computer Software Applications in Chemistry. Wiley, New York
22. Balaban AT (1982) Chem Phys Lett 89:399-404
23. Balaban AT (1983) Pure Appl Chem 55:199-206
24. Balaban AT (1986) Math Chem (MATCH) 21:115-122
25. Estrada E (1995) J Chem Inf Comput Sci 35:31-33
26. Estrada E (1995) J Chem Inf Comput Sci 35:701-707
27. Estrada E (1996) J Chem Inf Comput Sci 36:844-849
28. Estrada E, Ramirez A (1996) J Chem Inf Comput Sci 36:837-843
29. Estrada E (1997) J Chem Inf Comput Sci 37:320-328
30. Balaban AT (1979) Theor Chim Acta 53:355-375
31. Gálvez J, García-Domenech R, Salabert MT, Soler R (1994) J Chem Inf Comput Sci 34:520-525