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 10: | Line 24: | ||
*[[Propane]] | *[[Propane]] | ||
*[[Butane]] | *[[Butane]] | ||
*[[Pentane]] | |||
*[[Hexane]] | |||
**[[Cyclohexane]] | |||
*[[Heptane]] | |||
*[[Octane]] | |||
====Metals==== | |||
*[[Bismuth]] | |||
*[[Copper]] | |||
*[[Gallium]] | |||
*[[Germanium]] | |||
*[[Iron]] | |||
*[[Lead]] | |||
*[[Lithium]] | |||
*[[Magnesium]] | |||
*[[Nickel]] | |||
*[[Potassium]] | |||
*[[Sodium]] | |||
*[[Tellurium]] | |||
*[[Terbium]] | |||
*[[Thallium]] | |||
*[[Tin]] | |||
*[[Titanium]] | |||
====Noble gases==== | ====Noble gases==== | ||
*[[Helium]] | *[[Helium]] | ||
| Line 17: | Line 53: | ||
*[[Xenon]] | *[[Xenon]] | ||
*[[Radon]] | *[[Radon]] | ||
====Miscellaneous | ====Miscellaneous molecular liquids==== | ||
*[[Acetone]] | |||
*[[Acetonitrile]] | *[[Acetonitrile]] | ||
*[[Ammonia]] | |||
*[[Benzene]] | *[[Benzene]] | ||
*[[Boron]] | |||
*[[C36]] | |||
*[[C60]] | *[[C60]] | ||
*[[ | *[[Calcium aluminosilicate]] | ||
*[[Carbon]] | |||
*[[Carbon dioxide]] | *[[Carbon dioxide]] | ||
*[[Carbon disulfide]] | |||
*[[Carbon monoxide]] | |||
*[[Chloroform]] | |||
*[[Copper iodide]] | |||
*[[Coronene]] | |||
*[[Difluoroethane]] | *[[Difluoroethane]] | ||
*[[Dimethyl ether]] | |||
*[[Dimethyl sulfoxide]] | |||
*[[Ethylene glycol]] | *[[Ethylene glycol]] | ||
*[[Germanium]] | *[[Germanium dioxide]] | ||
*[[Hydrogen]] | |||
*[[Hydrogen fluoride]] | |||
*[[Hydrogen chloride]] | |||
*[[Simulations of real liquid crystal systems | Liquid crystals]] | |||
*[[Magnesium oxide]] | |||
*[[Methanesulfonylmethane]] | |||
*[[Nitrogen]] | *[[Nitrogen]] | ||
*[[ | *[[Nitromethane]] | ||
*[[ | *[[Nitrous oxide]] | ||
*[[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