Realistic models

Computational models of real substances

Alcohols

• Methanol
• Ethanol
• Propanol
• Butanol

Alkanes

• Methane
• Ethane
• Propane
• Butane
• Pentane
• Hexane
  • Cyclohexane
• Heptane
• Octane

Metals

• Gallium
• Germanium
• Potassium
• Sodium
• Titanium

Noble gases

• Helium
• Neon
• Argon
• Krypton
• Xenon
• Radon

Miscellaneous molecular liquids

• Acetonitrile
• Ammonia
• Benzene
• Carbon
• C60
• Carbon dioxide
• Difluoroethane
• Ethylene glycol
• Hydrogen
• Hydrogen fluoride
• Liquid crystals
• Magnesium oxide
• Nitrogen
• Phosphorus
• poly(ethylene oxide)
• Proteins
• Silicon
• Silica
• Sodium chloride
• sulfur hexafluoride
• Triphenyl phosphite
• Water (see also a list of water models)
• Yttria–alumina