Solvation of Isoelectronic Halide and Alkali Metal Ions by Argon Atoms

This work systematically examines the interactions of alkali metal cations and their isoelectronic halide counterparts with up to six solvating Ar atoms (M+Ar n and X–Ar n , where M = Li, Na, K, and Rb; X = H, F, Cl, and Br; and n = 1–6) via full geometry optimizations with the MP2 method and robust...

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Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2021-12, Vol.125 (49), p.10524-10531
Hauptverfasser: Rock, Carly A, Arradondo, Sarah N, Tschumper, Gregory S
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Sprache:eng
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