Uranyl solvation by a reference interaction site model

Keyphrases

• Solvation 100%
• Uranyl 100%
• Reference Interaction Site Model 100%
• Explicit Water 75%
• Aqua Complexes 75%
• Solvation Free Energy 50%
• Local Minima 25%
• Density Functional Theory 25%
• Computational Approach 25%
• Solute 25%
• Free Energy Functional 25%
• Solvation Shell 25%
• Polarizable Continuum Model 25%
• Molecular Density 25%
• Molecular Mechanics 25%
• Water Solvent 25%
• Free Energy Surface 25%
• Aqua Ligand 25%
• Implicit Solvent Model 25%
• Uranyl Complexes 25%
• Explicit Solvent Model 25%
• Solvent Environment 25%

Chemistry

• Solvation 100%
• Density Functional Theory 16%
• Molecular Mechanic 16%
• Surface Free Energy 16%
• Free Energy 16%