Realistic models

Realistic models are usually variants of idealised models, parametrised to study a specific atomic or molecular system with a certain degree of realism. These models are, more often than not, designed to reproduce a subset of experimental physical properties, thus a certain model may be more suitable to a particular study, whist quite possibly being wholly inadequate in the study of a distinct question.

Alcohols

• Methanol
• Ethanol
• Propanol
• Butanol

Alkali halides

• Potassium chloride
• Sodium chloride

Alkanes

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

Metals

• Gallium
• Germanium
• Iron
• Lithium
• Magnesium
• Potassium
• Sodium
• Tellurium
• Thallium
• Titanium

Noble gases

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

Miscellaneous molecular liquids

• Acetonitrile
• Ammonia
• Benzene
• C60
• Carbon
• Carbon dioxide
• Carbon disulfide
• Carbon monoxide
• Chloroform
• Copper iodide
• Difluoroethane
• Dimethyl sulfoxide
• Ethylene glycol
• Hydrogen
• Hydrogen fluoride
• Hydrogen chloride
• Liquid crystals
• Magnesium oxide
• Nitrogen
• Nitromethane
• Phosphorus
• poly(ethylene oxide)
• Proteins
• Silicon
• Silica
• sulfur hexafluoride
• Tetrachloromethane
• Trimethylphosphine
• Triphenyl phosphite
• Water
• Yttria–alumina