A solid state density functional study of crystalline thiophene-based oligomers and polymers

Journal of Physical Chemistry B

Volumn 116, Issue 49, 2012, Pages 14504-14509

  Famulari, Antonino ^a   Raos, Guido ^a   Baggioli, Alberto ^a   Casalegno, Moseìe ^a   Po, Riccardo ^b   Meille, Stefano V ^a  

^a POLITECNICO DI MILANO   (Italy)

^b ENI S P A   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; COMPUTATIONAL COSTS; ENERGY MINIMA; FORCE FIELD PARAMETRIZATION; MOLECULAR MODELING STUDIES; POLY(3-BUTYLTHIOPHENE); QUANTUM MECHANICAL; SOLID PHASIS; SOLID-STATE DENSITY; STRUCTURE AND ENERGETICS; THIOPHENE-BASED OLIGOMERS;

DENSITY FUNCTIONAL THEORY; OLIGOMERS; QUANTUM THEORY; THIOPHENE;

POLYMERS;

POLYMER; THIOPHENE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; POLYMERS; QUANTUM THEORY; THIOPHENES;

EID: 84871013750     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp310066q     Document Type: Article

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