Benchmarking CuₙO (n = 1, 2) complexes via ab initio methods: structural, electronic, and thermodynamic insights with biochemical relevance.

J Mol Model · 2025 · PMC12675678 · PMID 41335247

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a clear trendno p-value reported

In the case of hybrid-meta-GGA functionals, a clear trend emerges: increasing the percentage of exact exchange results in greater deviation with respect to experiment.

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