Quantitative Structure−Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers. Katritzky, A. R., Sild, S., Lobanov, V., & Karelson, M. J.~Chem.~Inf.~Comput.~Sci., 38(2):300--304, 1998.
Paper doi abstract bibtex A new quantitative structure−property relationship (QSPR) five-parameter correlation (R2 = 0.946) of molar glass transition temperatures (Tg/M) for a diverse set of 88 polymers is developed with the Comprehensive Descriptors for Structural and Statistical Analysis (CODESSA) program. The descriptors are all calculated directly from the molecular structure, and the approach given is applicable, in principle, to all linear polymers of regular structure.
@article{Katritzky:1998cr,
Abstract = { A new quantitative structure−property relationship (QSPR) five-parameter correlation (R2 = 0.946) of molar glass transition temperatures (Tg/M) for a diverse set of 88 polymers is developed with the Comprehensive Descriptors for Structural and Statistical Analysis (CODESSA) program. The descriptors are all calculated directly from the molecular structure, and the approach given is applicable, in principle, to all linear polymers of regular structure. },
Author = {Katritzky, Alan R. and Sild, Sulev and Lobanov, Victor and Karelson, Mati},
Date-Added = {2012-04-08 00:02:33 -0400},
Date-Modified = {2012-04-08 00:02:57 -0400},
Doi = {10.1021/ci9700687},
Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ci9700687},
Journal = {J.~Chem.~Inf.~Comput.~Sci.},
Keywords = {descriptor; polymer;},
Number = {2},
Pages = {300--304},
Title = {Quantitative Structure−Property Relationship ({QSPR}) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers},
Url = {http://pubs.acs.org/doi/abs/10.1021/ci9700687},
Volume = {38},
Year = {1998},
Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ci9700687},
Bdsk-Url-2 = {http://dx.doi.org/10.1021/ci9700687}}
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