Reactive Molecular Dynamics in Ionic Liquids: A Review of Simulation Techniques and Applications

Ionic liquids exhibit distinctive solvation and reactive properties, making them highly relevant for applications in energy storage, catalysis, and CO<sub>2</sub> capture. However, their complex molecular interactions, including proton transfer and physisorption/chemisorption, necessitat...

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Bibliographic Details
Main Authors: Márta Gődény, Christian Schröder
Format: Article
Language:English
Published: MDPI AG 2025-03-01
Series:Liquids
Subjects:
Online Access:https://www.mdpi.com/2673-8015/5/1/8
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