Variational Energy Decomposition Analysis of Charge-Transfer Interactions between Metals and Ligands in Carbonyl Complexes

Physics & Astronomy

• ligands 83%
• charge transfer 70%
• decomposition 62%
• metals 41%
• interactions 32%
• electrostatics 25%
• energy 24%
• blue shift 17%
• frequency shift 15%
• stabilization 13%
• fragments 13%
• transition metals 13%
• density functional theory 12%
• trends 12%
• decay 9%
• geometry 9%
• electronics 8%

Chemical Compounds

• Charge Transfer Interaction 100%
• Decomposition 52%
• Charge Transfer 42%
• Vibrational Frequency 39%
• Energy 38%
• Metal 37%
• Ligand 36%
• Blue 14%
• Transition Element 14%
• Density Functional Theory 12%