TIP5P-E model of water - Revision history

Nice and Tidy: TIP5P-E moved to TIP5P-E model of water

2010-02-23T14:51:00Z

← Older revision	Revision as of 16:51, 23 February 2010
(No difference)

Nice and Tidy: Started a section on the Vapour-liquid equilibria

2009-05-13T16:56:32Z

Started a section on the Vapour-liquid equilibria

← Older revision		Revision as of 18:56, 13 May 2009
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	{{Stub-water}}		{{Stub-water}}
	The '''TIP5P-E''' model is a version of the [[TIP5P]] model, re-parameterised for use with [[Ewald sum]]s. The following table of parameters is taken from ~~Ref~~. 1 ~~Table I~~.		The '''TIP5P-E''' model is a version of the [[TIP5P]] model, re-parameterised for use with [[Ewald sum]]s. The following table of parameters is taken from Table I of
			<ref>[http://dx.doi.org/10.1063/1.1652434 Steven W. Rick "A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums", Journal of Chemical Physics '''120''' 6085 (2004)]</ref>.
	:{\| style="height:100px" border="1"		:{\| style="height:100px" border="1"
	\|-		\|-
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	\| 3.097 \|\| 0.178 \|\| 0.241		\| 3.097 \|\| 0.178 \|\| 0.241
	\|}		\|}
			==Vapour-liquid equilibria==
			See <ref>[http://dx.doi.org/10.1021/jp0495242 Martin Lísal, Ivo Nezbeda, and William R. Smith "Vapor−Liquid Equilibria in Five-Site (TIP5P) Models of Water", Journal of Physical Chemistry B '''108''' pp. 7412–7414 (2004)]</ref>.
	==References==		==References==
	~~#[http:~~/~~/dx.doi.org/10.1063/1.1652434 Steven W. Rick "A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums", Journal of Chemical Physics '''120''' 6085 (2004)]~~		<references/>
	[[category: water]]		[[category: water]]
	[[category: models]]		[[category: models]]

Carl McBride: New page: {{Stub-water}} The '''TIP5P-E''' model is a version of the TIP5P model, re-parameterised for use with Ewald sums. The following table of parameters is taken from Ref. 1 Table I. :{...

2008-07-10T13:48:16Z

New page: {{Stub-water}} The '''TIP5P-E''' model is a version of the TIP5P model, re-parameterised for use with Ewald sums. The following table of parameters is taken from Ref. 1 Table I. :{...

New page

{{Stub-water}}
The '''TIP5P-E''' model is a version of the [[TIP5P]] model, re-parameterised for use with [[Ewald sum]]s. The following table of parameters is taken from Ref. 1 Table I.
:{| style="height:100px" border="1"
|-
| <math>\sigma</math> (Å)|| <math>\epsilon</math> (kcal.mol<sup>-1</sup>)|| q(H) (e)
|-
| 3.097 || 0.178 || 0.241
|}
==References==
#[http://dx.doi.org/10.1063/1.1652434 Steven W. Rick "A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums", Journal of Chemical Physics '''120''' 6085 (2004)]
[[category: water]]
[[category: models]]