Theoretical study of torsion and its effect on the structural and electronic properties of cyano-substituted poly (p-phenylene vinylene) and its derivatives

Synthetic Metals

Volumn 78, Issue 1, 1996, Pages 39-46

  Fahlman, M ^a   Bredas J L ^a  

^a UNIVERSITY OF MONS   (Belgium)

Author keywords

Cyano substitution; Electronic properties; Poly (p phenylene vinylene); Structures; Torsion

Indexed keywords

BAND STRUCTURE; CALCULATIONS; DERIVATIVES; ELECTRONIC PROPERTIES; ENERGY GAP; GEOMETRY; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; QUANTUM THEORY; SUBSTITUTION REACTIONS; TORSIONAL STRESS;

BANDGAP; CYANO SUBSTITUTION; ELECTRON AFFINITY; INTER RING TORSION POTENTIALS; IONIZATION POTENTIAL; POLY PHENYLENE VINYLENE; PSEUDOPOTENTIAL VALENCE EFFECTIVE HAMILTONIAN METHOD; SEMIEMPIRICAL QUANTUM CHEMICAL AUSTIN MODEL;

AROMATIC POLYMERS;

EID: 0030103760     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/0379-6779(95)03564-8     Document Type: Article

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