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By fixing the hydrogen bond length (O...H...N) at a value, the potential energy curves of the [M...H...NH 3 ] + were explored at the HF/6-31G(d) and B3LYP/6-31G(d) level of theory. The calculations indicate that as the hydrogen bond length is increased, the proton transfer barrier increases and the single-well potential energy curve tends to become double-welled. To model the proton...
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