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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.
| | Computational models of real substances |
| {{columns-list|3|
| |
| ====Alcohols==== | | ====Alcohols==== |
| *[[Methanol]] | | *[[Methanol]] |
| *[[Ethanol]] | | *[[Ethanol]] |
| *[[Propanol]]
| |
| *[[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]] |
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| *[[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]] |
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| *[[Xenon]] | | *[[Xenon]] |
| *[[Radon]] | | *[[Radon]] |
| ====Miscellaneous molecular liquids==== | | |
| *[[Acetone]]
| | ====Misc.==== |
| *[[Acetonitrile]] | | *[[Acetonitrile]] |
| *[[Ammonia]]
| |
| *[[Benzene]] | | *[[Benzene]] |
| *[[Boron]]
| |
| *[[C36]]
| |
| *[[C60]] | | *[[C60]] |
| *[[Calcium aluminosilicate]] | | *[[Cyclohexane]] |
| *[[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 fluoride]]
| |
| *[[Hydrogen chloride]]
| |
| *[[Simulations of real liquid crystal systems | Liquid crystals]]
| |
| *[[Magnesium oxide]]
| |
| *[[Methanesulfonylmethane]]
| |
| *[[Nitrogen]] | | *[[Nitrogen]] |
| *[[Nitromethane]] | | *[[poly(ethylene oxide)]] |
| *[[Nitrous oxide]]
| |
| *[[Phosphorus]]
| |
| *[[Poly(ethylene oxide)]]
| |
| *[[Poly(methylphenylsiloxane)]]
| |
| *[[Poly(methylene)]]
| |
| *[[Proteins]] | | *[[Proteins]] |
| *[[Silicon]] | | *[[Silicon potential | Silicon]] |
| *[[Silica]] | | *[[sulfur hexafluoride]] |
| *[[Sulfur]]
| | *[[Water models | Water]] |
| *[[Sulfur hexafluoride]]
| | *[[Simulations of real liquid crystal systems | Liquid crystlals]] |
| *[[Tetrachloromethane]]
| |
| *[[Tetrafluoromethane]]
| |
| *[[Titanium dioxide]]
| |
| *[[Trimethylphosphine]]
| |
| *[[Triphenyl phosphite]]
| |
| *[[Urea]]
| |
| *[[Water models |Water]] | |
| *[[Yttria–alumina]] | |
| }}
| |
| | |
| __NOTOC__
| |
| [[category:models]] | | [[category:models]] |
| [[category:Computer simulation techniques]] | | [[category:Computer simulation techniques]] |