Water clusters: TIP5P model - Revision history

Briesta: adding TIP5P structures and energies

2009-10-27T10:39:50Z

adding TIP5P structures and energies

← Older revision		Revision as of 12:39, 27 October 2009
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	n=17{{Jmol_general\|ClustersTIP5Pn17.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=17{{Jmol_general\|ClustersTIP5Pn17.xyz\|<nowiki> Energy= -729.48066 kJ/mol</nowiki>}} \|\|
	n=18{{Jmol_general\|ClustersTIP5Pn18.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=18{{Jmol_general\|ClustersTIP5Pn18.xyz\|<nowiki> Energy= -780.32133 kJ/mol</nowiki>}} \|\|
	n=19{{Jmol_general\|ClustersTIP5Pn19.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=19{{Jmol_general\|ClustersTIP5Pn19.xyz\|<nowiki> Energy= -833.32901 kJ/mol</nowiki>}}
	\|}		\|}
	==Related reading==		==Related reading==

Briesta: adding TIP5P structures and energies

2009-10-23T09:25:52Z

adding TIP5P structures and energies

← Older revision		Revision as of 11:25, 23 October 2009
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	n=14{{Jmol_general\|ClustersTIP5Pn14.xyz\|<nowiki> Energy= -591.64220 kJ/mol</nowiki>}} \|\|		n=14{{Jmol_general\|ClustersTIP5Pn14.xyz\|<nowiki> Energy= -591.64220 kJ/mol</nowiki>}} \|\|
	n=15{{Jmol_general\|ClustersTIP5Pn15.xyz\|<nowiki> Energy= -631.89943 kJ/mol</nowiki>}} \|\|		n=15{{Jmol_general\|ClustersTIP5Pn15.xyz\|<nowiki> Energy= -631.89943 kJ/mol</nowiki>}} \|\|
	n=16{{Jmol_general\|ClustersTIP5Pn16.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|-		n=16{{Jmol_general\|ClustersTIP5Pn16.xyz\|<nowiki> Energy= -685.24070 kJ/mol</nowiki>}}
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	n=17{{Jmol_general\|ClustersTIP5Pn17.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=17{{Jmol_general\|ClustersTIP5Pn17.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|

Nice and Tidy: Slight tidy

2009-10-09T10:25:23Z

Slight tidy

← Older revision		Revision as of 12:25, 9 October 2009
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	The following clusters are for the classical [[TIP5P \| TIP5P model]] of [[water]] at a [[temperature]] of 0K.		The following [[water clusters \|clusters]] are for the classical [[TIP5P \| TIP5P model]] of [[water]] at a [[temperature]] of 0K.
	The structures and energies shown here were calculated by Dr. Javier Hernández Rojas and [[User:Briesta \|Dr. Briesta Sigoñe González González]] of the [http://www.ull.es/ Universidad de La Laguna].		The structures and energies shown here were calculated by Dr. Javier Hernández Rojas and [[User:Briesta \|Dr. Briesta Sigoñe González González]] of the [http://www.ull.es/ Universidad de La Laguna].
	:{\| border="2" cellpadding="5" cellspacing="0"		:{\| border="2" cellpadding="5" cellspacing="0"
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	\|}		\|}
	==Related reading==		==Related reading==
	* [http://dx.doi.org/10.1016/j.cplett.2005.09.019 T. James, D.J. Wales and J. Hernández-Rojas " Global minima for water clusters (H2O)n, n < 21, described by a five-site empirical potential", Chemical Physics ~~Letter,~~ 415, 302 (2005)]		* [http://dx.doi.org/10.1016/j.cplett.2005.09.019 T. James, D.J. Wales and J. Hernández-Rojas " Global minima for water clusters (H2O)n, n ≤ 21, described by a five-site empirical potential", Chemical Physics Letters '''415''' pp. 302-307 (2005)]

	[[category: water]]		[[category: water]]
	[[category: contains Jmol]]		[[category: contains Jmol]]

Briesta: adding TIP5P structures and energies

2009-10-06T09:09:43Z

adding TIP5P structures and energies

← Older revision		Revision as of 11:09, 6 October 2009
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	n=11{{Jmol_general\|ClustersTIP5Pn11.xyz\|<nowiki> Energy= -440.58601 kJ/mol</nowiki>}} \|\|		n=11{{Jmol_general\|ClustersTIP5Pn11.xyz\|<nowiki> Energy= -440.58601 kJ/mol</nowiki>}} \|\|
	n=12{{Jmol_general\|ClustersTIP5Pn12.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=12{{Jmol_general\|ClustersTIP5Pn12.xyz\|<nowiki> Energy= -494.89997 kJ/mol</nowiki>}} \|\|
	n=13{{Jmol_general\|ClustersTIP5Pn13.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=13{{Jmol_general\|ClustersTIP5Pn13.xyz\|<nowiki> Energy= -535.47923 kJ/mol</nowiki>}}
	\|-		\|-
	\|		\|
	n=14{{Jmol_general\|ClustersTIP5Pn14.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=14{{Jmol_general\|ClustersTIP5Pn14.xyz\|<nowiki> Energy= -591.64220 kJ/mol</nowiki>}} \|\|
	n=15{{Jmol_general\|ClustersTIP5Pn15.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=15{{Jmol_general\|ClustersTIP5Pn15.xyz\|<nowiki> Energy= -631.89943 kJ/mol</nowiki>}} \|\|
	n=16{{Jmol_general\|ClustersTIP5Pn16.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|-		n=16{{Jmol_general\|ClustersTIP5Pn16.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|-
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Briesta: adding TIP5P structures and energies

2009-10-05T13:15:13Z

adding TIP5P structures and energies

← Older revision		Revision as of 15:15, 5 October 2009
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	n=8{{Jmol_general\|ClustersTIP5Pn8.xyz\|<nowiki> Energy= -303.19838 kJ/mol</nowiki>}} \|\|		n=8{{Jmol_general\|ClustersTIP5Pn8.xyz\|<nowiki> Energy= -303.19838 kJ/mol</nowiki>}} \|\|
	n=9{{Jmol_general\|ClustersTIP5Pn9.xyz\|<nowiki> Energy= -349.53997 kJ/mol</nowiki>}} \|\|		n=9{{Jmol_general\|ClustersTIP5Pn9.xyz\|<nowiki> Energy= -349.53997 kJ/mol</nowiki>}} \|\|
	n=10{{Jmol_general\|ClustersTIP5Pn10.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=10{{Jmol_general\|ClustersTIP5Pn10.xyz\|<nowiki> Energy= -399.04320 kJ/mol</nowiki>}}
	\|-		\|-
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	n=11{{Jmol_general\|ClustersTIP5Pn11.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=11{{Jmol_general\|ClustersTIP5Pn11.xyz\|<nowiki> Energy= -440.58601 kJ/mol</nowiki>}} \|\|
	n=12{{Jmol_general\|ClustersTIP5Pn12.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=12{{Jmol_general\|ClustersTIP5Pn12.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|
	n=13{{Jmol_general\|ClustersTIP5Pn13.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=13{{Jmol_general\|ClustersTIP5Pn13.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}

Briesta: adding TIP5P structures and energies

2009-10-05T08:08:41Z

adding TIP5P structures and energies

← Older revision		Revision as of 10:08, 5 October 2009
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	n=8{{Jmol_general\|ClustersTIP5Pn8.xyz\|<nowiki> Energy= -303.19838 kJ/mol</nowiki>}} \|\|		n=8{{Jmol_general\|ClustersTIP5Pn8.xyz\|<nowiki> Energy= -303.19838 kJ/mol</nowiki>}} \|\|
	n=9{{Jmol_general\|ClustersTIP5Pn9.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=9{{Jmol_general\|ClustersTIP5Pn9.xyz\|<nowiki> Energy= -349.53997 kJ/mol</nowiki>}} \|\|
	n=10{{Jmol_general\|ClustersTIP5Pn10.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=10{{Jmol_general\|ClustersTIP5Pn10.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}
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Briesta: adding TIP5P structures and energies

2009-10-01T08:28:05Z

adding TIP5P structures and energies

← Older revision		Revision as of 10:28, 1 October 2009
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	n=5{{Jmol_general\|ClustersTIP5Pn5.xyz\|<nowiki> Energy= -159.50193 kJ/mol</nowiki>}} \|\|		n=5{{Jmol_general\|ClustersTIP5Pn5.xyz\|<nowiki> Energy= -159.50193 kJ/mol</nowiki>}} \|\|
	n=6{{Jmol_general\|ClustersTIP5Pn6.xyz\|<nowiki> Energy= -197.93717 kJ/mol</nowiki>}} \|\|		n=6{{Jmol_general\|ClustersTIP5Pn6.xyz\|<nowiki> Energy= -197.93717 kJ/mol</nowiki>}} \|\|
	n=7{{Jmol_general\|ClustersTIP5Pn7.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=7{{Jmol_general\|ClustersTIP5Pn7.xyz\|<nowiki> Energy= -242.06710 kJ/mol</nowiki>}}
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	n=8{{Jmol_general\|ClustersTIP5Pn8.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=8{{Jmol_general\|ClustersTIP5Pn8.xyz\|<nowiki> Energy= -303.19838 kJ/mol</nowiki>}} \|\|
	n=9{{Jmol_general\|ClustersTIP5Pn9.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=9{{Jmol_general\|ClustersTIP5Pn9.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|
	n=10{{Jmol_general\|ClustersTIP5Pn10.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=10{{Jmol_general\|ClustersTIP5Pn10.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}

Briesta: adding TIP5P structures and energies

2009-09-30T15:01:11Z

adding TIP5P structures and energies

← Older revision		Revision as of 17:01, 30 September 2009
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	n=5{{Jmol_general\|ClustersTIP5Pn5.xyz\|<nowiki> Energy= -159.50193 kJ/mol</nowiki>}} \|\|		n=5{{Jmol_general\|ClustersTIP5Pn5.xyz\|<nowiki> Energy= -159.50193 kJ/mol</nowiki>}} \|\|
	n=6{{Jmol_general\|ClustersTIP5Pn6.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=6{{Jmol_general\|ClustersTIP5Pn6.xyz\|<nowiki> Energy= -197.93717 kJ/mol</nowiki>}} \|\|
	n=7{{Jmol_general\|ClustersTIP5Pn7.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=7{{Jmol_general\|ClustersTIP5Pn7.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}
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Briesta: adding TIP5P structures and energies

2009-09-30T11:01:57Z

adding TIP5P structures and energies

← Older revision		Revision as of 13:01, 30 September 2009
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	n=2{{Jmol_general\|ClustersTIP5Pn2.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=2{{Jmol_general\|ClustersTIP5Pn2.xyz\|<nowiki> Energy= -28.38784 kJ/mol</nowiki>}} \|\|
	n=3{{Jmol_general\|ClustersTIP5Pn3.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=3{{Jmol_general\|ClustersTIP5Pn3.xyz\|<nowiki> Energy= -62.72759 kJ/mol</nowiki>}} \|\|
	n=4{{Jmol_general\|ClustersTIP5Pn4.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=4{{Jmol_general\|ClustersTIP5Pn4.xyz\|<nowiki> Energy= -118.95539 kJ/mol</nowiki>}}
	\|-		\|-
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	n=5{{Jmol_general\|ClustersTIP5Pn5.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=5{{Jmol_general\|ClustersTIP5Pn5.xyz\|<nowiki> Energy= -159.50193 kJ/mol</nowiki>}} \|\|
	n=6{{Jmol_general\|ClustersTIP5Pn6.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=6{{Jmol_general\|ClustersTIP5Pn6.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|
	n=7{{Jmol_general\|ClustersTIP5Pn7.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=7{{Jmol_general\|ClustersTIP5Pn7.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}

Briesta: added bibliography

2009-09-30T10:43:32Z

added bibliography

← Older revision		Revision as of 12:43, 30 September 2009
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	\|}		\|}
	==Related reading==		==Related reading==
	*[http://~~www3~~.~~interscience~~.~~wiley~~.~~com/journal/48543~~/~~abstract J. A~~. ~~Niesse and Howard R~~. ~~Mayne "Global optimization of atomic and molecular clusters using the space-fixed modified genetic algorithm method", Journal of Computational Chemistry '''18''' pp~~. ~~1233-1244 (1997)]~~		* [http://dx.doi.org/10.1016/j.cplett.2005.09.019 T. James, D.J. Wales and J. Hernández-Rojas " Global minima for water clusters (H2O)n, n < 21, described by a five-site empirical potential", Chemical Physics Letter, 415, 302 (2005)]
	*[http://dx.~~doi~~.~~org/10~~.~~1016/S0009-2614(98)00065-7 David~~ J. Wales and ~~Matthew P~~. ~~Hodges~~ "Global minima of water clusters (H2O)n, ~~n≤21~~, described by an empirical potential", Chemical Physics ~~Letters '''286''' pp. 65-72 (1998)]~~
	*[http://dx.doi.org/10.1021/jp027783q H. Kabrede and R. Hentschke "Global Minima of Water Clusters (H2O)N, N ≤ 25, ~~Described by Three Empirical Potentials"~~, ~~Journal of Physical Chemistry B '''107''' pp. 3914-3920~~ (~~2003~~)]
	~~{{numeric}}~~
	[[category: water]]		[[category: water]]
	[[category: contains Jmol]]		[[category: contains Jmol]]

← Older revision		Revision as of 11:25, 23 October 2009
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	n=14{{Jmol_general\|ClustersTIP5Pn14.xyz\|<nowiki> Energy= -591.64220 kJ/mol</nowiki>}} \|\|		n=14{{Jmol_general\|ClustersTIP5Pn14.xyz\|<nowiki> Energy= -591.64220 kJ/mol</nowiki>}} \|\|
	n=15{{Jmol_general\|ClustersTIP5Pn15.xyz\|<nowiki> Energy= -631.89943 kJ/mol</nowiki>}} \|\|		n=15{{Jmol_general\|ClustersTIP5Pn15.xyz\|<nowiki> Energy= -631.89943 kJ/mol</nowiki>}} \|\|
	n=16{{Jmol_general\|ClustersTIP5Pn16.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|-		n=16{{Jmol_general\|ClustersTIP5Pn16.xyz\|<nowiki> Energy= -685.24070 kJ/mol</nowiki>}}
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	\|		\|
	n=17{{Jmol_general\|ClustersTIP5Pn17.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=17{{Jmol_general\|ClustersTIP5Pn17.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|

← Older revision		Revision as of 11:09, 6 October 2009
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	n=11{{Jmol_general\|ClustersTIP5Pn11.xyz\|<nowiki> Energy= -440.58601 kJ/mol</nowiki>}} \|\|		n=11{{Jmol_general\|ClustersTIP5Pn11.xyz\|<nowiki> Energy= -440.58601 kJ/mol</nowiki>}} \|\|
	n=12{{Jmol_general\|ClustersTIP5Pn12.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=12{{Jmol_general\|ClustersTIP5Pn12.xyz\|<nowiki> Energy= -494.89997 kJ/mol</nowiki>}} \|\|
	n=13{{Jmol_general\|ClustersTIP5Pn13.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=13{{Jmol_general\|ClustersTIP5Pn13.xyz\|<nowiki> Energy= -535.47923 kJ/mol</nowiki>}}
	\|-		\|-
	\|		\|
	n=14{{Jmol_general\|ClustersTIP5Pn14.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=14{{Jmol_general\|ClustersTIP5Pn14.xyz\|<nowiki> Energy= -591.64220 kJ/mol</nowiki>}} \|\|
	n=15{{Jmol_general\|ClustersTIP5Pn15.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=15{{Jmol_general\|ClustersTIP5Pn15.xyz\|<nowiki> Energy= -631.89943 kJ/mol</nowiki>}} \|\|
	n=16{{Jmol_general\|ClustersTIP5Pn16.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|-		n=16{{Jmol_general\|ClustersTIP5Pn16.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|-
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← Older revision		Revision as of 15:15, 5 October 2009
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	n=8{{Jmol_general\|ClustersTIP5Pn8.xyz\|<nowiki> Energy= -303.19838 kJ/mol</nowiki>}} \|\|		n=8{{Jmol_general\|ClustersTIP5Pn8.xyz\|<nowiki> Energy= -303.19838 kJ/mol</nowiki>}} \|\|
	n=9{{Jmol_general\|ClustersTIP5Pn9.xyz\|<nowiki> Energy= -349.53997 kJ/mol</nowiki>}} \|\|		n=9{{Jmol_general\|ClustersTIP5Pn9.xyz\|<nowiki> Energy= -349.53997 kJ/mol</nowiki>}} \|\|
	n=10{{Jmol_general\|ClustersTIP5Pn10.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=10{{Jmol_general\|ClustersTIP5Pn10.xyz\|<nowiki> Energy= -399.04320 kJ/mol</nowiki>}}
	\|-		\|-
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	n=11{{Jmol_general\|ClustersTIP5Pn11.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=11{{Jmol_general\|ClustersTIP5Pn11.xyz\|<nowiki> Energy= -440.58601 kJ/mol</nowiki>}} \|\|
	n=12{{Jmol_general\|ClustersTIP5Pn12.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=12{{Jmol_general\|ClustersTIP5Pn12.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|
	n=13{{Jmol_general\|ClustersTIP5Pn13.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=13{{Jmol_general\|ClustersTIP5Pn13.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}

← Older revision		Revision as of 10:28, 1 October 2009
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	n=5{{Jmol_general\|ClustersTIP5Pn5.xyz\|<nowiki> Energy= -159.50193 kJ/mol</nowiki>}} \|\|		n=5{{Jmol_general\|ClustersTIP5Pn5.xyz\|<nowiki> Energy= -159.50193 kJ/mol</nowiki>}} \|\|
	n=6{{Jmol_general\|ClustersTIP5Pn6.xyz\|<nowiki> Energy= -197.93717 kJ/mol</nowiki>}} \|\|		n=6{{Jmol_general\|ClustersTIP5Pn6.xyz\|<nowiki> Energy= -197.93717 kJ/mol</nowiki>}} \|\|
	n=7{{Jmol_general\|ClustersTIP5Pn7.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=7{{Jmol_general\|ClustersTIP5Pn7.xyz\|<nowiki> Energy= -242.06710 kJ/mol</nowiki>}}
	\|-		\|-
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	n=8{{Jmol_general\|ClustersTIP5Pn8.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=8{{Jmol_general\|ClustersTIP5Pn8.xyz\|<nowiki> Energy= -303.19838 kJ/mol</nowiki>}} \|\|
	n=9{{Jmol_general\|ClustersTIP5Pn9.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=9{{Jmol_general\|ClustersTIP5Pn9.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|
	n=10{{Jmol_general\|ClustersTIP5Pn10.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=10{{Jmol_general\|ClustersTIP5Pn10.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}

← Older revision		Revision as of 13:01, 30 September 2009
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	n=2{{Jmol_general\|ClustersTIP5Pn2.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=2{{Jmol_general\|ClustersTIP5Pn2.xyz\|<nowiki> Energy= -28.38784 kJ/mol</nowiki>}} \|\|
	n=3{{Jmol_general\|ClustersTIP5Pn3.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=3{{Jmol_general\|ClustersTIP5Pn3.xyz\|<nowiki> Energy= -62.72759 kJ/mol</nowiki>}} \|\|
	n=4{{Jmol_general\|ClustersTIP5Pn4.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=4{{Jmol_general\|ClustersTIP5Pn4.xyz\|<nowiki> Energy= -118.95539 kJ/mol</nowiki>}}
	\|-		\|-
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	n=5{{Jmol_general\|ClustersTIP5Pn5.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=5{{Jmol_general\|ClustersTIP5Pn5.xyz\|<nowiki> Energy= -159.50193 kJ/mol</nowiki>}} \|\|
	n=6{{Jmol_general\|ClustersTIP5Pn6.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|		n=6{{Jmol_general\|ClustersTIP5Pn6.xyz\|<nowiki> Energy= kJ/mol</nowiki>}} \|\|
	n=7{{Jmol_general\|ClustersTIP5Pn7.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}		n=7{{Jmol_general\|ClustersTIP5Pn7.xyz\|<nowiki> Energy= kJ/mol</nowiki>}}