Hydration of copper(II): New insights from density functional theory and the COSMO solvation model

Keyphrases

• Density Functional Theory 100%
• Six-coordinate 100%
• Four-coordinate 100%
• Cu(II) Ions 100%
• Copper(II) 100%
• Aqueous Solution 50%
• Mass Spectrometry 50%
• Aqueous Phase 50%
• Gas Phase 50%
• Conductor-like Screening Model for Real Solvents (COSMO-RS) 50%
• Metal Ions 50%
• Cluster Size 50%
• Extended X-ray Absorption Fine Structure (EXAFS) 50%
• Coordination number 50%
• X-ray Absorption Near Edge Structure (XANES) 50%
• Cu(II) 50%
• Hydration Shell 50%
• Unpaired Electrons 50%
• Cluster Geometry 50%
• B3LYP 50%
• Hydration Structure 50%
• Coordination Structure 50%
• Square Planar 50%
• Cu(II) Complex 50%
• Square Pyramidal Geometry 50%

Chemistry

• Density Functional Theory 100%
• Solvation 100%
• Energetics 50%
• Coordination Number 50%
• Extended X Ray Absorption Fine Structure Spectroscopy 50%
• DFT-B3LYP Calculation 50%
• Aqueous Solution 50%
• Metal Ion 50%
• stability 50%
• XANES Spectroscopy 50%

Biochemistry, Genetics and Molecular Biology

• Solvation 100%
• Copper Ion 100%
• Solution and Solubility 50%
• Energy Transfer 50%
• Aqueous Solution 50%