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Filippos Drakopoulos

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Jul 2026

Cooperative stability, many-body expansion, and σ-aromaticity of (LiH)n clusters (n = 1-6): A CCSD(T) study at the complete basis set limit.

We investigated the energetics and bonding of lithium hydride clusters (LiH)n (n = 1-6) using a composite ab initio scheme inspired by W2 theory to achieve sub-kcal/mol accuracy. This approach combines CCSD(T) results extrapolated to the complete basis set limit with a rigorous treatment of core-valence correlation, sc...

Emmanouil C. Semidalas, Filippos Drakopoulos, E. A. Routsi et al. · 0 citations

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