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. 1999 Dec 21;96(26):14748–14752. doi: 10.1073/pnas.96.26.14748

Figure 1.

Figure 1

The optimized geometry's for IIa, Va, and VIa at the HF/6 − 31 + G(d, p) level of theory. Relevant distances for each structure are given in angstroms. The distance corresponding to the hydrogen that migrates is depicted with a curved arrow in each structure.