Electronic structures of neutral, cationic and dicationic states of the low band gap polymers. Polythieno[3,4-b]benzene, a case study

Synthetic Metals

Volumn 159, Issue 19-20, 2009, Pages 2081-2085

  Garcia, Manuel ^a   Ramos, Estrella ^a   Guadarrama, Patricia ^a   Fomine, Serguei ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Broken symmetry DFT; Low band gap conjugated polymers; PITN

Indexed keywords

BROKEN SYMMETRY; BROKEN SYMMETRY DFT; CLOSED SHELLS; DECAMERS; DETERMINANT METHOD; DICATIONIC STATE; DICATIONS; LOW BAND GAP CONJUGATED POLYMERS; LOW BANDGAP POLYMERS; MULTI REFERENCE; OPEN-SHELL; PITN; POLARON PAIRS; POLY-THIOPHENE; REPEATING UNIT; STABILITY CALCULATION; TRIPLET STATE;

BENZENE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; GROUND STATE; OLIGOMERS; ORGANIC POLYMERS; POLYMERS; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS;

CONJUGATED POLYMERS;

EID: 70349623430     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.synthmet.2009.07.030     Document Type: Article

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