Computational electrochemistry: The aqueous Ru³⁺|Ru²⁺ reduction potential

Keyphrases

• Density Functional 100%
• Reduction Potential 100%
• Solvation Shell 100%
• Computational Electrochemistry 100%
• Standard Reduction Potential 100%
• Gas Phase 50%
• Prediction Accuracy 50%
• Density Functional Theory 50%
• Density-based 50%
• Aqueous Solution 50%
• Perturbation Theory 50%
• Density Functional Calculations 50%
• Ab Initio Computations 50%
• Surface Tension 50%
• Solvation Free Energy 50%
• Different Bases 50%
• Ionization Potential 50%
• Continuum Model 50%
• Atomic Surface 50%
• Electrostatic Polarization 50%
• Metal Cations 50%
• Hydration Shell 50%
• Continuum Solvent 50%
• Ru(II) Complexes 50%

Chemistry

• Reduction Potential 100%
• Computational Electrochemistry 100%
• Solvation 75%
• Density Functional Theory 25%
• k·p perturbation theory 25%
• Ionization Potential 25%
• Perturbation Theory 25%
• Aqueous Solution 25%
• Metal Ion 25%
• Free Energy 25%

Material Science

• Density 100%
• Solvation 75%
• Surface Tension 25%