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RESEARCH PRODUCT
Prediction of Indices of Refraction and Glass Transition Temperatures of Linear Polymers by Using Graph Theoretical Indices
Ramón García-domenechJ.v. De Julián-ortizsubject
chemistry.chemical_compoundMonomerMaterials sciencechemistryLinear polymerMaterials ChemistryAddition polymerThermodynamicsPhysical and Theoretical ChemistryGlass transitionGraphSurfaces Coatings and Filmsdescription
Graph theoretical indices were exclusively used in the prediction of indices of refraction, n, and glass transition temperatures, Tg, into a group of addition polymers. Models with 10 variables were selected for the prediction of n (r = 0.981, SEE = 0.0147) and Tg/M (r = 0.946, SEE = 0.439). The average errors in the predictions were 0.69% and 12.7% for n and Tg, respectively. The descriptors involved in these models were calculated from the structures of the monomers.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2002-01-18 | The Journal of Physical Chemistry B |