Normal Vibrational Analysis of a trans-Planar Syndiotactic Polystyrene Chain

The full vibrational spectra of α and β crystalline phases of syndiotactic polystyrene (sPS), that is, phases presenting the trans-planar conformation, have been experimentally determined and compared with that calculated at the B3LYP/6-31G(d,p) level of theory for an infinite trans-planar chain. Th...

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Veröffentlicht in:	The journal of physical chemistry. B 2007-06, Vol.111 (23), p.6327-6335
Hauptverfasser:	Torres, F. Javier, Civalleri, Bartolomeo, Pisani, Cesare, Musto, Pellegrino, Albunia, Alexandra R, Guerra, Gaetano
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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