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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 1.

Figure 1

Comparison of the oxygen-oxygen RDF functions. Black: experimental measurement; 35 red, SCCDFTB method with the original γ function; blue, SCCDFTB with the modified γ function for the H-bond.