DFT study of conjugated biheterocyclic oligomers exhibiting a very low HOMO-LUMO energy gap

Synthetic Metals

Volumn 140, Issue 2-3, 2004, Pages 127-133

  Aouchiche, Hafida Ammar ^a   Djennane, Sema ^a   Boucekkine, Abdou ^b  

^a UNIVERSITY OF SCIENCES AND TECHNOLOGY HOUARI BOUMEDIENE   (Algeria)

^b UNIVERSITÉ DE RENNES 1   (France)

Author keywords

Bifurane; Bipyrrole; Conducting polymers; DFT calculations; Polybithiophene; Polythiophene

Indexed keywords

CONDUCTIVE PLASTICS; DERIVATIVES; DIMERS; ELECTRONIC PROPERTIES; ENERGY GAP; MOLECULAR STRUCTURE; MONOMERS; PROBABILITY DENSITY FUNCTION;

BIFURANE; BIPYRROLE; DENSITY FUNCTIONAL THEORY (DFT); DFT CALCULATIONS; POLYTHIOPHENE;

OLIGOMERS;

EID: 1242330442     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0379-6779(03)00339-4     Document Type: Article

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