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Figure 7
Optimized geometries (B3LYP) for the low-spin (S = 1/2, bottom) and the high-spin (S = 3/2, top) ground states and the relative energy of the two ground states (kcal mol−1). |
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Figure 7
Optimized geometries (B3LYP) for the low-spin (S = 1/2, bottom) and the high-spin (S = 3/2, top) ground states and the relative energy of the two ground states (kcal mol−1). |