Realistic models: Difference between revisions
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'''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. | |||
{{columns-list|3| | |||
====Alcohols==== | ====Alcohols==== | ||
*[[Methanol]] | *[[Methanol]] | ||
| Line 5: | Line 6: | ||
*[[Propanol]] | *[[Propanol]] | ||
*[[Butanol]] | *[[Butanol]] | ||
====Alkali halides==== | |||
*[[Caesium fluoride]] | |||
*[[Lithium bromide]] | |||
*[[Lithium chloride]] | |||
*[[Lithium fluoride]] | |||
*[[Lithium iodide]] | |||
*[[Potassium bromide]] | |||
*[[Potassium chloride]] | |||
*[[Potassium fluoride]] | |||
*[[Potassium iodide]] | |||
*[[Rubidium chloride]] | |||
*[[Sodium bromide]] | |||
*[[Sodium chloride]] | |||
====Alkanes==== | ====Alkanes==== | ||
*[[Methane]] | *[[Methane]] | ||
| Line 16: | Line 30: | ||
*[[Octane]] | *[[Octane]] | ||
====Metals==== | ====Metals==== | ||
*[[Bismuth]] | |||
*[[Copper]] | |||
*[[Gallium]] | *[[Gallium]] | ||
*[[Germanium]] | *[[Germanium]] | ||
*[[Iron]] | |||
*[[Lead]] | |||
*[[Lithium]] | |||
*[[Magnesium]] | |||
*[[Nickel]] | |||
*[[Potassium]] | *[[Potassium]] | ||
*[[Sodium]] | *[[Sodium]] | ||
*[[Tellurium]] | |||
*[[Terbium]] | |||
*[[Thallium]] | |||
*[[Tin]] | |||
*[[Titanium]] | *[[Titanium]] | ||
====Noble gases==== | ====Noble gases==== | ||
| Line 29: | Line 54: | ||
*[[Radon]] | *[[Radon]] | ||
====Miscellaneous molecular liquids==== | ====Miscellaneous molecular liquids==== | ||
*[[Acetone]] | |||
*[[Acetonitrile]] | *[[Acetonitrile]] | ||
*[[Ammonia]] | *[[Ammonia]] | ||
*[[Benzene]] | *[[Benzene]] | ||
*[[Boron]] | |||
*[[C36]] | |||
*[[C60]] | |||
*[[Calcium aluminosilicate]] | |||
*[[Carbon]] | *[[Carbon]] | ||
*[[Carbon dioxide]] | *[[Carbon dioxide]] | ||
*[[Carbon disulfide]] | |||
*[[Carbon monoxide]] | |||
*[[Chloroform]] | |||
*[[Copper iodide]] | |||
*[[Coronene]] | |||
*[[Difluoroethane]] | *[[Difluoroethane]] | ||
*[[Dimethyl ether]] | |||
*[[Dimethyl sulfoxide]] | |||
*[[Ethylene glycol]] | *[[Ethylene glycol]] | ||
*[[Germanium dioxide]] | |||
*[[Hydrogen]] | *[[Hydrogen]] | ||
*[[Hydrogen fluoride]] | *[[Hydrogen fluoride]] | ||
*[[Hydrogen chloride]] | |||
*[[Simulations of real liquid crystal systems | Liquid crystals]] | *[[Simulations of real liquid crystal systems | Liquid crystals]] | ||
*[[Magnesium oxide]] | |||
*[[Methanesulfonylmethane]] | |||
*[[Nitrogen]] | *[[Nitrogen]] | ||
*[[Nitromethane]] | |||
*[[Nitrous oxide]] | |||
*[[Phosphorus]] | *[[Phosphorus]] | ||
*[[ | *[[Poly(ethylene oxide)]] | ||
*[[Poly(methylphenylsiloxane)]] | |||
*[[Poly(methylene)]] | |||
*[[Proteins]] | *[[Proteins]] | ||
*[[Silicon]] | *[[Silicon]] | ||
*[[Silica]] | *[[Silica]] | ||
*[[ | *[[Sulfur]] | ||
*[[ | *[[Sulfur hexafluoride]] | ||
*[[Tetrachloromethane]] | |||
*[[Tetrafluoromethane]] | |||
*[[Titanium dioxide]] | |||
*[[Trimethylphosphine]] | |||
*[[Triphenyl phosphite]] | *[[Triphenyl phosphite]] | ||
*[[ | *[[Urea]] | ||
*[[Water models |Water]] | |||
*[[Yttria–alumina]] | *[[Yttria–alumina]] | ||
}} | |||
__NOTOC__ | |||
[[category:models]] | [[category:models]] | ||
[[category:Computer simulation techniques]] | [[category:Computer simulation techniques]] | ||
Latest revision as of 12:08, 11 June 2018
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
- Caesium fluoride
- Lithium bromide
- Lithium chloride
- Lithium fluoride
- Lithium iodide
- Potassium bromide
- Potassium chloride
- Potassium fluoride
- Potassium iodide
- Rubidium chloride
- Sodium bromide
- Sodium chloride
Alkanes
Metals
- Bismuth
- Copper
- Gallium
- Germanium
- Iron
- Lead
- Lithium
- Magnesium
- Nickel
- Potassium
- Sodium
- Tellurium
- Terbium
- 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