The Cambridge Cluster Database

Global Minima of Protonated Water Clusters

Matthew P. Hodges and David J. Wales

Chemical Physics Letters, 324, 279-288, 2000

Notes:
N Structure
Energy (KJ)
kJ/mol
coordinates
Energy (ASP)
kJ/mol
coordinates
1 -116.47 XYZ file -118.07 XYZ file
2 -220.95 XYZ file -216.27 XYZ file
3 -314.97 XYZ file -300.52 XYZ file
4 -372.12 XYZ file -359.31 XYZ file
5 -424.13 XYZ file -415.77 XYZ file
6 -480.11 XYZ file -475.42 XYZ file
7 -530.67 XYZ file -535.39 XYZ file
8 -587.52 XYZ file -591.73 XYZ file
9 -638.39 XYZ file -644.81 XYZ file
10 -690.56 XYZ file -700.05 XYZ file
11 -742.67 XYZ file -752.07 XYZ file
12 -794.44 XYZ file -800.91 XYZ file
13 -843.80 XYZ file -857.63 XYZ file
14 -893.51 XYZ file -905.36 XYZ file
15 -943.19 XYZ file -959.71 XYZ file
16 -997.17 XYZ file -1013.12 XYZ file
17 -1040.72 XYZ file -1066.76 XYZ file
18 -1096.69 XYZ file -1124.38 XYZ file
19 -1143.98 XYZ file -1172.18 XYZ file
20 -1202.92 XYZ file -1236.52 XYZ file
All structures realized with XMakemol