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. 1997 Jun 24;94(13):6591–6595. doi: 10.1073/pnas.94.13.6591

Figure 2.

Figure 2

HF/6–31+G(d) calculated geometries for the TSs for the hydroxide Reactions 46 (Chart 1). Selected C—O and C—Cl bond lengths are included. Bonds that are not completely formed are drawn in bold dashed lines.