IR spectroscopy of crystalline polymers from ab initio calculations: Nylon 6,6

Vibrational Spectroscopy

Volumn 66, Issue , 2013, Pages 83-92

  Galimberti, Daria ^a   Quarti, Claudio ^a   Milani, Alberto ^a   Brambilla, Luigi ^a   Civalleri, Bartolomeo ^b   Castiglioni, Chiara ^a  

^a POLITECNICO DI MILANO   (Italy)

^b UNIVERSITY OF TURIN   (Italy)

Author keywords

Crystallinity bands; Density functional theory calculations; Hydrogen bonding; Polyamides

Indexed keywords

AB INITIO CALCULATIONS; CRYSTALLINITIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DISPERSION-CORRECTED DENSITY FUNCTIONAL; INTERMOLECULAR INTERACTIONS; PERIODIC BOUNDARY CONDITIONS; SOLID STATE CHEMISTRY; VIBRATIONAL PROPERTIES;

CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; RAYON; SPECTROSCOPIC ANALYSIS;

POLYAMIDES;

EID: 84875144289     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2013.02.005     Document Type: Article

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