Quantum chemical modeling of tri-Mn-substituted W-based Keggin polyoxoanions

Keyphrases

• Polyoxometalates 100%
• Polyoxoanion 100%
• Keggin 100%
• Quantum Chemical Modeling 100%
• Reduction Potential 50%
• Mn(IV) 50%
• Electrolyte Environment 50%
• Redox Potential 25%
• Proton 25%
• Counterion 25%
• Li + 25%
• Cyclic Voltammetry 25%
• Li+ Ions 25%
• Density Functional Calculations 25%
• Density Functional Theory 25%
• Electrochemical Properties 25%
• High Charge 25%
• Electron Transfer 25%
• Reversible Potential 25%
• B3LYP 25%
• Exact Exchange 25%
• Mn(III) 25%
• Half-wave Potential 25%
• Redox Properties 25%
• Hybrid Functional 25%
• Charge Neutralization 25%
• PBE0 25%
• TPSSh 25%
• Keggin Ion 25%
• Error Cancellation 25%
• Polarizable Continuum 25%
• Quantum Chemical Model 25%

Chemistry

• Polyoxometalate 100%
• Reduction Potential 50%
• Redox Potential 25%
• Counterion 25%
• Density Functional Theory 25%
• Cyclic Voltammetry 25%
• Lithium Ion 25%
• DFT-B3LYP Calculation 25%
• Electrochemistry 25%
• Reversible Half-Wave Potential 25%
• Electron Transport 25%
• Density Functional Theory 25%