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. Author manuscript; available in PMC: 2008 Aug 21.
Published in final edited form as: J Phys Chem A. 2007 May 3;111(26):5685–5691. doi: 10.1021/jp070308d

Figure 3.

Figure 3

Figure 3

Figure 3

Minimized structures of the (H2O)10 cluster: a) the structure in the Cambridge Cluster Database after minimization with the SCCDFTB method; b) the lowest-energy structure identified in the heating-cooling procedure with the SCCDFTB method; c) the second-lowest-energy structure from HF/6-31G(d,p) optimization. 31