Aqueous Stability of Zirconium Clusters, including the Zr(IV) Hexanuclear Hydrolysis Complex [Zr₆O₄(OH)₄(H₂O)₂₄]¹²⁺, from Density Functional Theory

Physics & Astronomy

• hydrolysis 100%
• density functional theory 67%
• ligands 43%
• molecular orbitals 43%
• synthesis 31%
• coordination polymers 24%
• metals 22%
• carboxylates 20%
• Gibbs free energy 17%
• zeolites 16%
• aqueous solutions 13%
• diagrams 11%
• electrostatics 11%
• trends 10%
• electronic structure 10%
• thermodynamics 9%
• water 8%
• interactions 5%
• energy 4%

Chemical Compounds

• Molecular Cluster 56%
• Density Functional Theory 54%
• Hydrolysis 54%
• Tetramer 43%
• Metal Organic Framework 38%
• Counterion 26%
• Ligand 19%
• Electrochemical Cell Potential 17%
• Frontier Orbital 15%
• Electrostatic Potential 15%
• Molecular Orbital 13%
• pH Value 12%
• Zeolite 11%
• Gibbs Free Energy 10%
• Electronic State 10%
• Green 10%
• Block Like Crystal 9%
• Thermodynamics 9%
• Aqueous Solution 7%
• Energy 6%
• Solvent 6%