Density functional theory calculations of the local spin densities of 3-substituted thiophenes and the oligomerization mechanism of 3-methylsulfanyl thiophene

Synthetic Metals

Volumn 129, Issue 2, 2002, Pages 207-213

  Ando, Shinji ^a   Ueda, Mitsuru ^a  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

Density functional theory; Oxidative coupling; Polymerization mechanism; Polythiophene; Regioregularity; Spin density

Indexed keywords

ELECTRONIC STRUCTURE; IONIZATION; OXIDATION; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

OLIGOMERIZATION; SPIN DENSITIES;

OLIGOMERS;

EID: 0037054821     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0379-6779(02)00056-5     Document Type: Article

References (22)