Dynamical charge tensors and infrared spectra of the crystalline α-quaterthiophene polymorph phases from first-principles calculations

Synthetic Metals

Volumn 156, Issue 7-8, 2006, Pages 519-524

  Hermet, P ^a   Bantignies, J L ^a   Sauvajol, J L ^a   Johnson, M R ^b  

^a UNIVERSITÉ MONTPELLIER 2   (France)

^b INSTITUT LAUE LANGEVIN   (France)

Author keywords

Charge tensor; DFT; Infrared spectra; Oligothiophene; Polymorph phase

Indexed keywords

CRYSTALLINE MATERIALS; INFRARED SPECTROSCOPY; POLARIZATION; PROBABILITY DENSITY FUNCTION; TENSORS;

CHARGE TENSOR; DFT; OLIGOTHIOPHENE; POLYMORPH PHASE;

ORGANIC POLYMERS;

EID: 33646506462     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.synthmet.2005.11.003     Document Type: Article

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