Multiconfiguration Pair-Density Functional Theory for Chromium(IV) Molecular Qubits.

JACS Au · 2022 · PMC9516709 · PMID 36186551

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closest p

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showed a trendno p-value reported

However, when using the optimized geometry in the crystal, all of the theoretical methods showed a trend of | D | 1 > | D | 3 > | D | 2 , as shown in Figure 5 a.

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