Within the metal–oxygen cluster, a clear trend emerges where increasing bond degree correlates with increasingly negative dimensionless ratios, indicating greater electron density concentration and thus stronger bonding interactions.
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Exploring Symmetry-Independent Configurations in KTa<sub>0.5</sub>Nb<sub>0.5</sub>O<sub>3</sub> Solid Solutions: A First-Principles, QTAIM, and AIMD Approach.
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