A universal solvation model based on class IV charges and the intermediate neglect of differential overlap for the spectroscopy molecular orbital method

Keyphrases

• Solvation Model 100%
• Molecular Orbital Calculations 100%
• Charge-based 50%
• Charge Model 50%
• Organic Solvents 50%
• Surface Tension 50%
• Parametrized 50%
• Solvation Free Energy 50%
• Point Charge 50%
• Parametrization 50%
• Neutral Solute 50%
• Atomic Surface 50%
• Rigid Geometry 50%
• Spectroscopic Techniques 50%

Chemistry

• Solvation 100%
• Molecular Orbital Method 100%
• INDO Calculation 100%
• Spectroscopy 66%
• Free Energy 33%