Uranyl monocarboxylates of aromatic acids: A density functional model study of uranyl humate complexation

Keyphrases

• All-electron 14%
• Aqueous Solution 14%
• Aromatic Acids 100%
• Aromatic Carboxylic Acid 14%
• Benzoate 28%
• Benzoic Acid 14%
• Benzoic Acid Derivatives 14%
• Bidentate 57%
• C-distance 14%
• Carboxylate 14%
• Chelates 14%
• Coordination number 14%
• Density Functional Model 100%
• Electron Density Functional Method 14%
• Energy Levels 14%
• Entropy Effect 14%
• Extended X-ray Absorption Fine Structure (EXAFS) 14%
• Geometry Optimization 14%
• Gibbs Free Energy 14%
• Humate 100%
• Hydroxyl 14%
• Methyl 14%
• Monocarboxylates 100%
• Monodentate 42%
• Scalar 14%
• Substituted Benzoic Acids 14%
• Uranium(VI) 14%
• Uranyl 100%

Chemistry

• Aqueous Solution 33%
• Aromatic Carboxylic Acid 33%
• Benzoate 66%
• Benzoic Acid 100%
• Carboxylic Acid 33%
• chelate 33%
• Complexation 100%
• Coordination Number 33%
• Density Functional Theory 33%
• Electron Density 33%
• Extended X Ray Absorption Fine Structure Spectroscopy 33%
• Gibbs Free Energy 33%
• Hydroxyl 33%
• Uranium 33%