Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene

Chemical Compounds

• Phase Equilibria 59%
• Thiophene 55%
• Thiol 51%
• Disulfide 50%
• Sulfide 47%
• Methanethiol 43%
• Dimethyl Disulfide 42%
• Dimethyl Sulfide 39%
• Electrostatic Potential Energy Surface 29%
• Diethyl Sulfide 24%
• Canonical Ensemble 23%
• Saturated Liquid 22%
• Force 20%
• Critical Temperature 17%
• Boiling Point 16%
• Monte Carlo Method 16%
• Vapor Pressure 14%
• Ab Initio Calculation 13%
• Error 11%
• Simulation 9%
• Molecule 5%

Physics & Astronomy

• disulfides 77%
• thiophenes 76%
• thiols 76%
• sulfides 64%
• atoms 30%
• field theory (physics) 20%
• vapors 15%
• butanes 12%
• liquid-vapor equilibrium 12%
• data simulation 11%
• curves 11%
• histograms 11%
• liquids 10%
• vapor pressure 10%
• boiling 10%
• critical temperature 8%
• potential energy 8%
• interactions 8%
• electrostatics 7%
• deviation 7%
• molecules 5%
• simulation 3%
• temperature 2%

Engineering & Materials Science

• Thiophene 100%
• Phase equilibria 73%
• Sulfides 69%
• Atoms 62%
• Vapors 18%
• Potential energy surfaces 16%
• Density of liquids 15%
• Butane 13%
• Chemical analysis 13%
• Boiling point 13%
• Vapor pressure 12%
• Electrostatics 10%
• Molecules 9%
• Temperature 8%
• Experiments 7%
• Liquids 6%