Substitution effects on the frontier orbitals of 3,4,9,10-perylene bis(dicarboximide). A computational quantum chemistry study with insights into the electronic properties of organic semiconductors

Journal of Molecular Structure: THEOCHEM

Volumn 686, Issue 1-3, 2004, Pages 57-63

  Pichierri, Fabio ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Density functional theory; Frontier orbitals; Perylene based molecules; Quantum chemistry; Semiempirical methods

Indexed keywords

IMIDE; PERYLENE;

ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTRON; QUANTUM CHEMISTRY; SEMICONDUCTOR;

EID: 7044220517     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.08.012     Document Type: Article

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