Combined DFT and ionic model computational study of the effect of alkali metal cations on the structure, bonding and properties of molten cryolites, M<sub>3</sub>AlF<sub>6</sub> (M = li, Na, K, Rb, and Cs).
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- Physics & Chemistry of Liquids, 2025, v. 63, n. 1, p. 31, doi. 10.1080/00319104.2024.2349777
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- Article