Substituent effect on the electronic properties of pyrazino[2,3-g] quinoxaline molecules

Keyphrases

• Quinoxaline 100%
• Substituent Effect 100%
• Observed Trends 50%
• Electronic Structure 50%
• Resonance Effect 50%
• Conjugation Effect 50%
• Cross-conjugation 50%
• Thienyl 50%
• Quinoid 50%
• Quinoxaline Derivatives 50%
• Optimization Conditions 50%
• Valence Bond Theory 50%
• Geometry Optimization 50%
• B3LYP Functional 50%

Chemistry

• Quinoxaline 100%
• Substituent Effect 100%
• Valence Bond Calculation 50%
• DFT-B3LYP Calculation 50%
• Electronic State 50%
• Quinoxaline Derivative 50%
• Quinonoid Zwitterion 50%

Material Science

• Electronic Property 100%
• Density 50%
• Energy Levels 50%