QSPR models based on molecular mechanics and quantum chemical calculations. 2. Thermodynamic properties of alkanes, alcohols, polyols, and ethers

Chemistry

• Alkane 100%
• Polyol 100%
• Quantum Chemical Calculations 100%
• Molecular Mechanic 100%
• QSPR Study 100%
• Enthalpy of Vaporization 66%
• Boiling Point 33%
• Diol 33%
• Melting Point 33%
• Organic Compound 33%
• Conformational Isomer 33%

Keyphrases

• Quantum Chemical Calculations 100%
• Quantitative Structure-property Relationship 100%
• Vaporization Enthalpy 66%
• Boiling Point 33%
• New Descriptor 33%
• Cyclic Alkenes 33%
• CODESSA 33%
• Cyclic Alcohols 33%
• Best Model 33%
• Model-driven Development 33%
• Molecular Conformers 33%

Chemical Engineering

• Polyol 100%