Theoretical investigation of the geometric and optical properties of neutral and charged oligophenylenes

Keyphrases

• Optical Properties 100%
• Bipolaron 100%
• Geometric Properties 100%
• Oligophenylenes 100%
• Excited States 50%
• Phenylene 50%
• Absorption Feature 50%
• Configuration Interaction 50%
• Electron Correlation Effects 50%
• Geometry Optimization 50%
• Interaction Techniques 50%
• Transition Energy 50%
• Benzene Ring 50%
• Single Charge 50%
• Polaron 50%
• Optical Absorption Spectra 50%
• Conjugated Oligomers 50%
• Hartree-Fock Calculations 50%
• Theoretical Data 50%
• Sub-bandgap Absorption 50%
• Allowed Transitions 50%
• Austin Model 1 50%

Chemistry

• Optical Property 100%
• Oligomer 100%
• Bipolaron 50%
• Excited State 25%
• Hartree-Fock Calculation 25%
• Absorption Spectrum 25%
• Configuration Interaction 25%
• Absorptivity 25%
• Electron Correlation 25%
• Benzene Ring 25%
• Polaron 25%
• INDO Calculation 25%
• AM1 Calculation 25%

Material Science

• Optical Property 100%
• Absorption Spectrum 100%