On the properties of new benzothiazole derivatives for organic light emitting diodes (OLEDs): A comprehensive theoretical study

Journal of Physics and Chemistry of Solids

Volumn 71, Issue 9, 2010, Pages 1225-1235

  Mabrouk, A ^a   Azazi, A ^a   Alimi, K ^a  

^a FACULTÉ DES SCIENCES DE MONASTIR   (Tunisia)

Author keywords

A. Organic compounds; C. Ab initio calculations; D. Electronic structure

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; AUSTIN MODEL 1; BENZOTHIAZOLE DERIVATIVES; BENZOTHIAZOLES; C. AB-INITIO CALCULATIONS; D. ELECTRONIC STRUCTURE; EXPERIMENTAL DATA; GEOMETRICAL STRUCTURE; GEOMETRY STRUCTURE; HARTREE-FOCK; HIGH PERFORMANCE APPLICATIONS; HIGHEST OCCUPIED MOLECULAR ORBITAL; IN-DEPTH UNDERSTANDING; LOWEST UNOCCUPIED MOLECULAR ORBITAL; LUMINESCENCE PROPERTIES; MOLECULAR MATERIALS; NONPLANAR CONFIGURATION; PHOTOPHYSICAL PROPERTIES; QUANTUM-CHEMICAL METHODS; RED-LIGHT EMISSION; SEMI-EMPIRICAL; SPECTROSCOPIC PROPERTY; STRUCTURAL PARAMETER; THEORETICAL APPROACH; THEORETICAL SIMULATION; THEORETICAL STUDY; VIBRATIONAL PROPERTIES; ZINDO/S;

DENSITY FUNCTIONAL THEORY; ELECTRIC EXCITATION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; IONIZATION POTENTIAL; LIGHT; LIGHT EMITTING DIODES; LUMINESCENCE; LUMINESCENT DEVICES; MOLECULAR MODELING; MOLECULAR ORBITALS; OPTICAL PROPERTIES; OPTOELECTRONIC DEVICES; ORGANIC COMPOUNDS; ORGANIC LIGHT EMITTING DIODES (OLED);

STRUCTURAL PROPERTIES;

EID: 77955518807     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2010.04.020     Document Type: Article

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