Keyphrases
Electronic Structure Methods
100%
Solvation Model
100%
Solvation Free Energy
100%
Solvation Method
100%
Neglect of Diatomic Differential Overlap
60%
Root Mean Square Error
40%
Solvation
40%
Error Value
40%
Tight-binding
20%
Nonpolar Solvent
20%
Density Functional Theory
20%
Tight-binding Theory
20%
Density Parameter
20%
Prediction Accuracy
20%
Acetonitrile
20%
Carbon-sulfur
20%
Dimethyl Sulfoxide
20%
GAMESS
20%
Conductor-like Screening Model for Real Solvents (COSMO-RS)
20%
Polar Solvents
20%
Carbon-nitrogen
20%
Methanol
20%
Minnesota
20%
Continuum Solvation Model
20%
Pharmacology, Toxicology and Pharmaceutical Science
Sulfur
100%
Methanol
100%
Acetonitrile
100%
Dimethyl Sulfoxide
100%
Chemical Engineering
Dimethyl Sulfoxide
100%
Methanol
100%
Acetonitrile
100%
Chemistry
Solvation
100%
Electronic State
100%
Density Functional Theory
23%
Neglect of Diatomic Differential Overlap
23%
Methanol
7%
Polar Solvent
7%
Dimethyl Sulfoxide
7%
Hydrogen
7%
Acetonitrile
7%
Non-Polar Solvent
7%
Earth and Planetary Sciences