Complexes of oligopyrrole dications with inorganic anions: A comparative theoretical HF/post-HF study

Synthetic Metals

Volumn 149, Issue 1, 2005, Pages 47-52

  Tamm, Tarmo ^a   Tamm, Jüri ^a   Karelson, Mati ^a  

^a UNIVERSITY OF TARTU   (Estonia)

Author keywords

Counter ions; Polypyrrole; Pyrrole oligomer dications; Quantum chemical calculations

Indexed keywords

COMPUTATIONAL METHODS; ERROR ANALYSIS; NEGATIVE IONS; POLARIZATION; POLYMERS; POLYPYRROLES; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SYNTHESIS (CHEMICAL);

COUNTER-IONS; DENSITY FUNCTION THEORY (DFT); PYRROLE OLIGOMER DICATIONS; QUANTUM CHEMICAL CALCULATIONS; REDOX BEHAVIOR;

OLIGOMERS;

EID: 13644268140     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.synthmet.2004.10.014     Document Type: Article

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