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