Hydrogen bonding of dimethylpyridine clusters in water: Correlation between the lower consolute solution temperature and electron interaction energy

Keyphrases

• Electron-electron Interaction 100%
• Hydrogen Bonds (H-bonds) 100%
• Temperature Interaction 100%
• Interaction Energy 100%
• Solution Temperature 100%
• Dimethylpyridine 100%
• H2O Molecule 30%
• Phase Separation 20%
• Organic Content 20%
• Phase Diagram 10%
• Demixing 10%
• Parameterized Algorithms 10%
• Density Functional Theory 10%
• Water-rich 10%
• Binding Energy 10%
• Calculation Results 10%
• Interaction Strength 10%
• Electronic Energy 10%
• Kohn-Sham Density Functional Theory 10%
• Equilibrium Binding 10%
• Equilibrium Geometry 10%
• Hydrophilic-hydrophobic Properties 10%
• 2,6-dimethylpyridine 10%
• Separation Dynamics 10%
• Dimer Diffusion 10%
• Dispersion Term 10%
• Mixed Media 10%
• Polarizable Continuum Model 10%
• Dimer Formation 10%
• Solvation Model 10%
• Hydrophobic Cluster 10%

Chemistry

• Hydrogen Bonding 100%
• Density Functional Theory 66%
• Phase Separation 66%
• Phase Diagrams 33%
• Binding Energy 33%
• Solvation 33%
• Hydrophilicity 33%
• 2,6-dimethylpyridine 33%

Chemical Engineering

• Dimer 100%
• Phase Separation 28%