TIP4P¹ (H₂O)_NClusters²

N	Energy	Structure	Coordinates
2	-26.08757 kJ/mol		xyz-file
3	-69.99387 kJ/mol		xyz-file
4	-116.59042 kJ/mol		xyz-file
5	-152.10900 kJ/mol		xyz-file
6	-197.78053 kJ/mol		xyz-file
7	-243.57240 kJ/mol		xyz-file
8	-305.51832 kJ/mol		xyz-file
9	-344.43521 kJ/mol		xyz-file
10	-391.02268 kJ/mol		xyz-file
11	-431.48907 kJ/mol		xyz-file
12	-492.90824 kJ/mol		xyz-file
13	-532.97054 kJ/mol		xyz-file
14	-582.99110 kJ/mol		xyz-file
15	-628.37225 kJ/mol		xyz-file
16	-681.19259 kJ/mol		xyz-file
17	-723.80775 kJ/mol		xyz-file
18	-773.23187 kJ/mol		xyz-file
19	-821.03692 kJ/mol		xyz-file
20	-872.98875 kJ/mol		xyz-file
21	-916.70743 kJ/mol		xyz-file

Low-lying minima for TIP4P water₂₀ corresponding to different morphologies: boxkite , dodecahedra , stacked pentagonal prisms , three pentagonal prisms .

All structures have been viewed and animated with XMAKEMOL.

¹ W.L. Jorgensen, J. Chandrasekhar and J. Madura, J. Chem. Phys. 79, 926 (1983).

² Please cite D. J. Wales and M. P. Hodges, Chem. Phys. Lett., 286, 65 (1998)

The "new" global minimum claimed for (H₂O)₁₀ by Lee, Suh and Kim in J. Chem. Phys., 114, 10749, 2001 was in fact an error, as corrected by the authors in J. Chem. Phys., 115, 7331, 2001.

TIP4P1 (H2O)N Clusters2

TIP4P¹ (H₂O)_NClusters²