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. 2014 Apr 9;111(16):5790–5795. doi: 10.1073/pnas.1322966111

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Fig. 4. — Spin fluctuations. Spin-state distribution obtained by analyzing the 16 dominant states in the DFT + DMFT reduced density matrix (see Results) at . The reduced density matrix of MbCO has states with dominant configurations, and MbO₂ has dominant contributions from , with higher spin contributions at .

Inline graphic — Spin fluctuations. Spin-state distribution obtained by analyzing the 16 dominant states in the DFT + DMFT reduced density matrix (see Results) at . The reduced density matrix of MbCO has states with dominant configurations, and MbO₂ has dominant contributions from , with higher spin contributions at .