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. Author manuscript; available in PMC: 2010 Aug 21.
Published in final edited form as: Phys Chem Chem Phys. 2009 Jul 13;11(31):6733–6742. doi: 10.1039/b907029j

Fig. 8.

Fig. 8

Representative geometry-optimized computational model (where θOH = 330°) from which the various spectroscopic parameters were calculated as a function of θOH.