Simultaneous proton transfer along a linear water polymer

SCF CNDO calculations were performed for species H₃O⁺·(H₂O)_n·OH^? where n was varied from one to three. The position of the intervening protons was changed simultaneously while the oxygens and remaining hydrogens were kept fixed. It was found that only one minimum occurs when n is one or two while an asymmetric double minimum potential is found when n is equal to three. A barrier of 10.4 kcal/mole was found.