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ab initio molecular dynamics 1alkali metal cations 1dielectrons 1hydrated electrons 1reactivity 1solvation structure 1

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1 paper

physics.chem-ph2026

How Alkali Metal Cations Affect the Structure and Reactivity of the Hydrated Dielectron

Tatiana Nemirovich, Pavel Jungwirth, Ondrej Marsalek

The paper uses ab initio molecular dynamics to examine how Li⁺ and Cs⁺ counterions affect the structure and reactivity of hydrated dielectrons in water, showing that cations increa…