Table 2 Best fits of the 51 V-hyperfine parameters (Eq. 1) of VO2+ bound to various equatorial ligands of sCD39 under different conditions.
| Â | Calculated | Â | Â | Â | Â | |
|---|---|---|---|---|---|---|
Species | Â | Most Probable Equatorial Ligands | ||||
| Â | g|| | A|| | Â | Â | Â | Â |
T | 1.9445 | 504.25 | RNH2 | RCOO | Pi | Pi |
D1 | 1.9390 | 520.95 | H2O | RCOO | Pi | Pi |
D2 | 1.9435 | 490.01 | ROH | RCOO | RCOO | Pi |
V | 1.9500 | 485.36 | ROH | ROH | H2O | H2O |