Application of the electrostatically embedded many-body expansion to microsolvation of ammonia in water clusters

Keyphrases

• Ammonia 100%
• Microsolvation 100%
• Many-body Expansion 100%
• Water Clusters 100%
• Truncation 80%
• Pentamer 60%
• Relative Energy 60%
• Three-body 40%
• Mean Absolute Deviation 40%
• Third Order 40%
• Electronic Structure Calculations 40%
• Hexamer 40%
• Wavefunction Theory 40%
• Density Functional Theory 20%
• Density Functional 20%
• Charge Distribution 20%
• System Sizing 20%
• Many-body Expansion Method 20%
• Two-level 20%
• Ammonia Water 20%
• Many-body 20%
• Functional Level 20%
• Additive Approximation 20%
• Pure Water 20%
• Mixed Clusters 20%
• Practical Calculation Method 20%
• Additional Error 20%
• Practical Model 20%
• Model Chemistry 20%

Chemistry

• Tetramer 100%
• Wave Function Theory 100%
• Monomer 100%
• Ammonia 100%
• Chemistry 50%
• Electronic State 50%
• Charge Distribution 50%
• Oligomer 50%
• Density Functional Theory 50%