A quantum mechanical study on polymer flexibility: Extended model from monomer to tetramer of 2- and 4-bromostyrenes

DFT Quantum chemical descriptors as dipole and quadrupole momenta as well as molecular volume have been calculated for the monomer, dimer and tetramer of 2- and 4-bromostyrene in order to study the effect of small changes in their molecular structure on the glass transition temperature of the corres...

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Veröffentlicht in:	Polymer (Guilford) 2009-01, Vol.50 (1), p.317-327
Hauptverfasser:	Navarro, Amparo, Fernández-Liencres, M. Paz, Peña-Ruiz, Tomás, Granadino-Roldán, José Manuel, Fernández-Gómez, Manuel, Domínguez-Espinosa, Gustavo, Sanchís, María J.
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied sciences Bromostyrenes DFT calculations Exact sciences and technology Glass transition temperature Organic polymers Physicochemistry of polymers Properties and characterization Structure, morphology and analysis
Online-Zugang:	Volltext
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