A refined MS-EVB model for proton transport in aqueous environments

Keyphrases

• Aqueous Environment 100%
• Proton Transport 100%
• Force Field 50%
• Structural Properties 50%
• Quartic 50%
• Bulk Water 50%
• Thermodynamic Properties 50%
• Ambient Conditions 50%
• Water Model 50%
• Dynamical Properties 50%
• Proton Mobility 50%
• Bond Model 50%
• Solvation Structure 50%
• Morse Potential 50%
• Proton Solvation 50%
• Empirical Valence Bond 50%
• Proton Diffusion Coefficient 50%
• OH Bond 50%
• Structural Thermodynamics 50%
• Excess Protons 50%

Chemistry

• Solvation 100%
• Empirical Valence Bond 50%
• Bond Model 50%
• Diffusion Coefficient 50%
• Morse Potential 50%
• Volume 50%