TIP4P/FQ model of water - Revision history

Carl McBride: Added melting point

2011-06-15T15:29:55Z

Added melting point

← Older revision		Revision as of 17:29, 15 June 2011
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			==Melting point==
			The [[Ice Ih]]-[[water]] melting point has been calculated to be <math>303\pm 8~K</math> <ref>[http://dx.doi.org/10.1016/j.jcrysgro.2006.04.077 Benjamin F. Nicholson, Paulette Clancy and Steven W. Rick "The interface response function and melting point of the prism interface of ice Ih using a fluctuating charge model (TIP4P-FQ)", Journal of Crystal Growth '''293''' pp. 78-85 (2006)] </ref>.
	==References==		==References==
	<references/>		<references/>
	[[category: water]]		[[category: water]]
	[[category: models]]		[[category: models]]

Nice and Tidy: TIP4P/FQ moved to TIP4P/FQ model of water

2010-02-23T14:49:22Z

TIP4P/FQ moved to TIP4P/FQ model of water

← Older revision	Revision as of 16:49, 23 February 2010
(No difference)

Nice and Tidy: Started a parameters section.

2009-06-08T16:15:34Z

Started a parameters section.

← Older revision		Revision as of 18:15, 8 June 2009
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	{{Stub-water}}		{{Stub-water}}
	The '''TIP4P/FQ''' model is a variant of the [[TIP4P]] model, now ~~having~~ fluctuating charges.		The '''TIP4P/FQ''' model
			<ref>[http://dx.doi.org/10.1063/1.468398 Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics '''101''' pp. 6141-6156 (1994)]</ref>
			is a variant of the [[TIP4P]] model, which now incorporates fluctuating charges.
			==Parameters==
			[[Image:Four_site_water_model.png‎\|center\|400px]]


			{\| style="width:75%; height:100px" border="1"
			\|-
			\| <math>r_{\mathrm {OH}}</math> (Å)\|\| <math>\angle</math>HOH , deg\|\| <math>\sigma</math> (Å)\|\| <math>\epsilon/k</math> (K)\|\| q(O) (e) \|\| q(H) (e) \|\| q(M) (e) \|\| <math>r_{\mathrm {OM}}</math> (Å)
			\|-
			\| --- \|\| --- \|\| --- \|\| --- \|\| --- \|\| --- \|\| --- \|\| ---
			\|}

	==References==		==References==
	~~#[http:~~//dx.doi.org/10.1063/1.468398 Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics '''101''' pp. 6141-6156 (1994)]		<references/>
	[[category: water]]		[[category: water]]
	[[category: models]]		[[category: models]]

Carl McBride at 11:10, 5 December 2007

2007-12-05T11:10:45Z

← Older revision		Revision as of 13:10, 5 December 2007
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	{{Stub-water}}		{{Stub-water}}
			The '''TIP4P/FQ''' model is a variant of the [[TIP4P]] model, now having fluctuating charges.
	==References==		==References==
	#[http://dx.doi.org/10.1063/1.468398 Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics '''101''' pp. 6141-6156 (1994)]		#[http://dx.doi.org/10.1063/1.468398 Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics '''101''' pp. 6141-6156 (1994)]
	[[category: water]]		[[category: water]]
	[[category: models]]		[[category: models]]

Nice and Tidy at 11:08, 20 September 2007

2007-09-20T11:08:16Z

← Older revision		Revision as of 13:08, 20 September 2007
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			{{Stub-water}}
	==References==		==References==
	#[http://dx.doi.org/10.1063/1.468398 Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics '''101''' pp. 6141-6156 (1994)]		#[http://dx.doi.org/10.1063/1.468398 Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics '''101''' pp. 6141-6156 (1994)]
	[[category: water]]		[[category: water]]
	[[category: models]]		[[category: models]]

Carl McBride: New page: ==References== #[http://dx.doi.org/10.1063/1.468398 Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal ...

2007-06-05T17:22:00Z

New page: ==References== #[http://dx.doi.org/10.1063/1.468398 Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal ...

New page

==References==
#[http://dx.doi.org/10.1063/1.468398 Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics '''101''' pp. 6141-6156 (1994)]
[[category: water]]
[[category: models]]