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Results for β dideuterium 2H and 13C KIE calculations using the B3LYP/6-31G(d) level of theory. Experimental values taken from reference (30) are also shown.
| Type of KIE | Sialyl-lactose acid solvolysis | Enzyme reaction | ||
|---|---|---|---|---|
| Calculated | Experimental | Calculated | Experimental | |
| β dideuterium 2H | 1.161 | 1.113 ± 0.012 | 1.065 | 1.053 ± 0.010 |
| 13C primary | 1.008 | 1.016 ± 0.011 | 1.018 | 1.021 ± 0.014 |
