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. Author manuscript; available in PMC: 2006 Mar 22.
Published in final edited form as: J Phys Chem A. 2000 Nov 16;104(45):10271–10279. doi: 10.1021/jp0012505

Figure 6.

Figure 6

Lowest energy conformer of (MTBD2TFA + H)+ from molecular mechanics calculations (top) and a superposition of the conformers with energies within 3 kcal/mol for (a) the minimal conformer for the charge-solvated form, and (b) the salt-bridge form.