Quantitative Structure−Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers
Journal of Chemical Information and Computer Sciences1998Vol. 38(2), pp. 300–304
Citations Over TimeTop 17% of 1998 papers
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.
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