Ab initio theoretical study of temperature and density dependence of molecular and thermodynamic properties of water in the entire fluid region: Autoionization processes

Chemistry

• Procedure 100%
• Water Type 75%
• Density 75%
• Electronic State 50%
• Thermodynamics 50%
• Thermodynamic Property 50%
• Molecular Property 50%
• Autoionization 50%
• Reaction Temperature 25%
• Structure 25%
• Aqueous Solution 25%
• Solute 25%
• Chemical Reaction Product 25%
• Hartree-Fock Calculation 25%
• Molecular Geometry 25%
• Molecule 25%
• Solvation 25%
• Supercritical 25%

Physics

• Water 75%
• Electronic Structure 50%
• Thermodynamic Properties 50%
• Thermodynamics 50%
• Temperature Dependence 50%
• Closures 50%
• Density Dependence 50%
• Molecular Properties 50%
• Autoionization 50%
• Model 25%
• Value 25%
• Temperature 25%
• Calculation 25%
• Molecules 25%
• Sites 25%
• Self Consistent Field 25%
• Region 25%
• Aqueous Solution 25%
• Approximation 25%
• Solvation 25%