Water clusters: TIP4P model
From SklogWiki
The following clusters are for the classical TIP4P 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
UNIQ35ea4ee04bec9b13-jmol-00000000-QINU {{{2}}} n=3
UNIQ35ea4ee04bec9b13-jmol-00000001-QINU {{{2}}} n=4
UNIQ35ea4ee04bec9b13-jmol-00000002-QINU {{{2}}} n=5
UNIQ35ea4ee04bec9b13-jmol-00000003-QINU {{{2}}} n=6
UNIQ35ea4ee04bec9b13-jmol-00000004-QINU {{{2}}} n=7
UNIQ35ea4ee04bec9b13-jmol-00000005-QINU {{{2}}} n=8
UNIQ35ea4ee04bec9b13-jmol-00000006-QINU {{{2}}} n=9
UNIQ35ea4ee04bec9b13-jmol-00000007-QINU {{{2}}} n=10
UNIQ35ea4ee04bec9b13-jmol-00000008-QINU {{{2}}} n=11
UNIQ35ea4ee04bec9b13-jmol-00000009-QINU {{{2}}} n=12
UNIQ35ea4ee04bec9b13-jmol-0000000A-QINU {{{2}}} n=13
UNIQ35ea4ee04bec9b13-jmol-0000000B-QINU {{{2}}} n=14
UNIQ35ea4ee04bec9b13-jmol-0000000C-QINU {{{2}}} n=15
UNIQ35ea4ee04bec9b13-jmol-0000000D-QINU {{{2}}} n=16
UNIQ35ea4ee04bec9b13-jmol-0000000E-QINU {{{2}}} n=17
UNIQ35ea4ee04bec9b13-jmol-0000000F-QINU {{{2}}} n=18
UNIQ35ea4ee04bec9b13-jmol-00000010-QINU {{{2}}} n=19
UNIQ35ea4ee04bec9b13-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)
- Briesta S. González, Eva G. Noya, Carlos Vega and Luis M. Sesé "Nuclear Quantum Effects in Water Clusters: The Role of the Molecular Flexibility", Journal of Physical Chemistry B (Article ASAP) (2010)
This page contains numerical values and/or equations. If you intend to use ANY of the numbers or equations found in SklogWiki in any way, you MUST take them from the original published article or book, and cite the relevant source accordingly.
