Structure and dynamics of the aqueous liquid-vapor interface: A comprehensive particle-based simulation study

Keyphrases

• Simulation Study 100%
• Interaction Potential 100%
• Particle Simulation 100%
• Liquid-vapor Interface 100%
• Aqueous Fluid 100%
• Dipole Moment 66%
• Molecular Dipole Moment 66%
• Bond Population 66%
• Hydrogen Bond (H-bond) 66%
• Electronic Properties 33%
• Density Functional Theory 33%
• Polarizable Model 33%
• Surface Relaxation 33%
• Interfacial Width 33%
• Interfacial Water 33%
• Polarizable 33%
• Radial Distribution Function 33%
• Correlation Time 33%
• Structural Dynamic Property 33%
• Fixed-charge Model 33%
• Moment Relaxation 33%
• Orientational Relaxation Times 33%
• Population Relaxation 33%
• Structural Electronics 33%

Chemistry

• Dioxygen 100%
• Dipole Moment 100%
• Hydrogen Bonding 50%
• Relaxation 25%
• Electronic Property 25%
• Radial Distribution Function 25%
• Surface Relaxation 25%
• Mechanical Strength 25%
• Density Functional Theory 25%
• Interfacial Water 25%

Material Science

• Hydrogen Bonding 100%
• Density 50%
• Electronic Property 50%
• Structural Dynamics 50%