Extension of a temperature-dependent aqueous solvation model to compounds containing nitrogen, fluorine, chlorine, bromine, and sulfur

Engineering & Materials Science

• Solvation 98%
• Bromine 94%
• Fluorine 84%
• Chlorine 75%
• Sulfur 59%
• Nitrogen 56%
• Free energy 47%
• Temperature 24%
• Ions 8%
• Functional groups 5%
• Electrostatics 4%
• Atoms 4%
• Geometry 2%

Physics & Astronomy

• nitrogen compounds 100%
• bromine 76%
• solvation 67%
• chlorine 65%
• fluorine 61%
• sulfur 58%
• free energy 32%
• temperature dependence 28%
• temperature 18%
• partitions 4%
• ions 4%
• solutes 3%
• electrostatics 3%
• geometry 2%
• room temperature 2%
• atoms 2%

Chemical Compounds

• Bromine Atom 58%
• Fluorine Atom 54%
• Chlorine 53%
• Solvation 52%
• Gibbs Free Energy 32%
• Partition 4%
• Solute 3%
• Ion 3%
• Error 3%
• Surface Area 3%
• Ambient Reaction Temperature 2%