Relativistic density functional study of the dinuclear uranyl complex [(UO₂)₂(μ₂-OH)₂Cl ₂(H₂O)₄] in its crystalline environment

Keyphrases

• Dinuclear 100%
• Density Functional Study 100%
• Crystalline Environment 100%
• Uranyl 100%
• Relativistic Density Functional 100%
• UO2(II) 100%
• Uranyl Complexes 100%
• Hydrogen Bonds (H-bonds) 66%
• Bond Angle 33%
• Dichlorides 33%
• Scalar 33%
• Gas Phase 33%
• Strong Hydrogen Bond 33%
• Computational Results 33%
• Hydrolysis Products 33%
• Density Functional Method 33%
• Polynuclear 33%
• Hydrogen Bond Lengths 33%
• Crystal Geometry 33%
• All-electron 33%
• Average Binding Energy 33%
• Gas-phase Structure 33%
• Hexavalent 33%
• Chlorine Ion 33%
• Quantum Chemical Methods 33%

Chemistry

• Density Functional Theory 100%
• Uranium Dioxide 100%
• Hydrogen Bond 100%
• Crystal Structure 25%
• Bond Length 25%
• Bond Angle 25%
• Chlorine Ion 25%
• Binding Energy 25%
• Chemical Method 25%
• Enzymatic Hydrolysis 25%
• Density Functional Theory 25%