Structure and Thermodynamics of Li<sup>+</sup>Ar<i><sub>n</sub></i> Clusters beyond the Second Solvation Shell

Structure and Thermodynamics of Li<sup>+</sup>Ar<i><sub>n</sub></i> Clusters beyond the Second Solvation Shell

Small Li<sup>+</sup>Ar<i><sub>n</sub></i> clusters are employed in this work as model systems to study microsolvation. Although first and second solvation shells are expected to be the most relevant ones for this type of atomic solvents, it is also interesting to...

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Bibliographic Details
Main Authors: Jorge M. C. Marques, Frederico V. Prudente
Format: Article
Language:English
Published: MDPI AG 2024-02-01
Series:Symmetry
Subjects:
microsolvation
parallel tempering Monte Carlo
global optimization
thermodynamic properties
Online Access:https://www.mdpi.com/2073-8994/16/2/229

Internet

https://www.mdpi.com/2073-8994/16/2/229

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