Electrochemical behaviors and relativistic DFT calculations to understand the terminal ligand influence on the [Re₆(μ₃-Q)₈X₆]^4- clusters

Keyphrases

• Electrochemical Performance 100%
• Relativistic DFT Calculations 100%
• Redox Potential 100%
• Terminal Ligand 100%
• Standard Hydrogen Electrode 100%
• Frontier Molecular Orbitals 50%
• Molecular Orbital 50%
• Solvent Effect 50%
• Redox Processes 50%
• Reduction Method 50%
• Relativistic Effects 50%
• Thermodynamic Cycle 50%
• Free Energy 50%
• Cluster Core 50%
• Experimental Protocol 50%
• Rhenium 50%
• Frequency Analysis 50%
• Orbital Splitting 50%
• Reversible Process 50%
• Crystal Field Strength 50%
• DFT Level 50%

Chemistry

• Density Functional Theory 100%
• Hydrogen 100%
• Redox Potential 100%
• Molecular Orbital 50%
• Frontier Orbital 50%
• Solvent Effect 50%
• Crystal Field 50%
• Thermodynamic Cycle 50%
• Gibbs Free Energy 50%
• Rhenium 50%
• Redox Process 50%

Material Science

• Mechanical Strength 100%
• Redox Process 100%
• Rhenium 100%