General Semiempirical Quantum Mechanical Solvation Model for Nonpolar Solvation Free Energies. n-Hexadecane

Keyphrases

• Quantum Mechanical 100%
• Solvation Model 100%
• Surface Tension 100%
• Solvation Free Energy 100%
• Hexadecane 100%
• Ammonia 33%
• Carbon-sulfur 33%
• Alkanes 33%
• Amines 33%
• Carbon-nitrogen 33%
• Alkenes 33%
• Sulfide 33%
• Aldehydes 33%
• Alkynes 33%
• Thiols 33%
• Rare Gases 33%
• Iodide 33%
• Fluoride 33%
• Bromide 33%
• Chloride 33%
• Ether 33%
• Partial Charges 33%
• Pyridine 33%
• Bond Order 33%
• Nonpolar Solvent 33%
• Solvation Shell 33%
• Nitriles 33%
• Aromatic Alcohols 33%
• Shell Interaction 33%
• Ketone Ester 33%

Pharmacology, Toxicology and Pharmaceutical Science

• Hexadecane 100%
• Ammonium 50%
• Sulfur 50%
• Bond Order 50%
• Nitrile 50%
• Alkane 50%
• Alkyne 50%
• Thiol 50%
• Alcohol Derivative 50%
• Pyridine Derivative 50%
• Ether Derivative 50%
• Alkene 50%
• Inert Gas 50%
• Thioether 50%

Chemistry

• Solvation 100%
• Gibbs Free Energy 100%
• Hexadecane 100%
• Alkane 20%
• Alkene 20%
• Noble Gas Atom 20%
• Alkyne 20%
• Ketones 20%
• Aromatic Alcohol 20%
• Hydrogen 20%
• Thiol 20%
• Bond Order 20%
• Nitrile 20%