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Global Minima of Protonated Water Clusters
Matthew P. Hodges and David J. Wales
Chemical Physics Letters, 324, 279-288, 2000
Notes:
- The XYZ files contain the Cartesian coordinates of the tightly optimized minima found from the
three basin-hopping runs of 30000 quenches.
- The ASP potential is described in M. P. Hodges and A. J. Stone, J. Chem. Phys. 110, 6766 (1999).
- The KJ potential is described in R. E. Kozack and P. C. Jordan, J. Chem. Phys. 96, 3131 (1992).
All structures realized with XMakemol
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