Toward the synthetic control of the HOMO-LUMO gap in binuclear systems: Insights from density functional calculations

Keyphrases

• Density Functional Calculations 100%
• Binuclear 100%
• HOMO-LUMO Gap 100%
• Synthetic Control Method 100%
• Density Functional Theory 33%
• Computational Methods 33%
• DFT Calculations 33%
• Fused Ring 33%
• S-Indacene 33%
• Dianion 33%
• Electron Transfer 33%
• Organometallic Complexes 33%
• Pentalene 33%
• Naphthalene 33%
• Anthracene 33%
• Bimetallic Complexes 33%
• Molecular Electronics 33%
• Ferrocenyl Units 33%
• Transfer Phenomena 33%
• Tetracene 33%

Chemistry

• HOMO/LUMO Gap 100%
• Density Functional Theory 66%
• Molecular Electronics 33%
• Indacene 33%
• Electron Transport 33%
• Electron Transfer 33%
• Organometallic Complexes 33%
• Naphthalene 33%
• Pentalene 33%
• Anthracene 33%
• Tetracene 33%