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Angel Albavera-Mata

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Open access Sep 2026

How Accurately Can We Describe Spin Crossover?

The complicated physicochemical properties of metal complexes that exhibit thermal spin crossover make it difficult for routine electronic structure calculations to yield an accurate transition temperature prediction, T1/2. The difficulty lies in the intricate connection between the spin-crossover energy, which is a...

Angel Albavera-Mata, Daniel Mejía-Rodríguez, N. Govind et al. · 0 citations

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