Table 2.
The calculated (PBE-D4 /def2-SVP) energy differences between the ᴅ- and ʟ-(AlaNi).
| Complex | (AlaNi)L7 | (AlaNi)L1 | (AlaNi)L4 [37] |
|
| |||
| ΔE, kcal/mol | 3.6 | 3.3 | 3.7 |
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