Water clusters: TIP3P model
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The following clusters are for the classical TIP3P model of water at a temperature of 0K. The structures and energies shown here were calculated by Dr. Javier Hernández Rojas and Dr. Briesta Sigoñe González González of the Universidad de La Laguna.
n=2
UNIQ3d6188e37bc86565-jmol-00000000-QINU {{{2}}} n=3
UNIQ3d6188e37bc86565-jmol-00000001-QINU {{{2}}} n=4
UNIQ3d6188e37bc86565-jmol-00000002-QINU {{{2}}} n=5
UNIQ3d6188e37bc86565-jmol-00000003-QINU {{{2}}} n=6
UNIQ3d6188e37bc86565-jmol-00000004-QINU {{{2}}} n=7
UNIQ3d6188e37bc86565-jmol-00000005-QINU {{{2}}} n=8
UNIQ3d6188e37bc86565-jmol-00000006-QINU {{{2}}} n=9
UNIQ3d6188e37bc86565-jmol-00000007-QINU {{{2}}} n=10
UNIQ3d6188e37bc86565-jmol-00000008-QINU {{{2}}} n=11
UNIQ3d6188e37bc86565-jmol-00000009-QINU {{{2}}} n=12
UNIQ3d6188e37bc86565-jmol-0000000A-QINU {{{2}}} n=13
UNIQ3d6188e37bc86565-jmol-0000000B-QINU {{{2}}} n=14
UNIQ3d6188e37bc86565-jmol-0000000C-QINU {{{2}}} n=15
UNIQ3d6188e37bc86565-jmol-0000000D-QINU {{{2}}} n=16
UNIQ3d6188e37bc86565-jmol-0000000E-QINU {{{2}}} n=17
UNIQ3d6188e37bc86565-jmol-0000000F-QINU {{{2}}} n=18
UNIQ3d6188e37bc86565-jmol-00000010-QINU {{{2}}} n=19
UNIQ3d6188e37bc86565-jmol-00000011-QINU {{{2}}} [edit] Related reading
- 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)
- 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)
- 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)