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
Alkali halides
- Lithium bromide
- Lithium chloride
- Lithium fluoride
- Lithium iodide
- Potassium chloride
- Sodium bromide
- Sodium chloride
Alkanes
Metals
- Bismuth
- Copper
- Gallium
- Germanium
- Iron
- Lead
- Lithium
- Magnesium
- Nickel
- Potassium
- Sodium
- Tellurium
- Thallium
- Tin
- Titanium
Noble gases
Miscellaneous molecular liquids
- Acetone
- Acetonitrile
- Ammonia
- Benzene
- Boron
- C36
- C60
- Calcium aluminosilicate
- Carbon
- Carbon dioxide
- Carbon disulfide
- Carbon monoxide
- Chloroform
- Copper iodide
- Coronene
- Difluoroethane
- Dimethyl ether
- Dimethyl sulfoxide
- Ethylene glycol
- Germanium dioxide
- Hydrogen
- Hydrogen fluoride
- Hydrogen chloride
- Liquid crystals
- Magnesium oxide
- Methanesulfonylmethane
- Nitrogen
- Nitromethane
- Nitrous oxide
- Phosphorus
- Poly(ethylene oxide)
- Poly(methylphenylsiloxane)
- Poly(methylene)
- Proteins
- Silicon
- Silica
- Sulfur
- Sulfur hexafluoride
- Tetrachloromethane
- Tetrafluoromethane
- Titanium dioxide
- Trimethylphosphine
- Triphenyl phosphite
- Urea
- Water
- Yttria–alumina