ArticleACS omega2026
Structural Evolution of Hydrated Alkaline-Earth Metal Ion Clusters via Molecular Face Theory with Kohn-Sham One-Electron Potential.
Article in ACS omega, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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9 authors.
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Abstract
Alkaline-earth metal ions exhibit distinct hydration behaviors that evolve with coordination number and govern their chemical reactivity, transport properties, and biological functions, yet a unified description linking hydration structure, electronic effects, and steric hindrance remains incomplete. In this work, the Molecular Face Theory (MFT) based on the Kohn-Sham one-electron potential (KSpot) was applied to systematically investigate the structural evolution of gas-phase hydrated clusters M-[(H
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