Temporal reversibility of reactive systems out of equilibrium: Molecular dynamics simulation
Fuente:
arXiv
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| Main Authors: | Politano, O., Garcia, Alejandro L., Baras, F., Mansour, M. Malek |
|---|---|
| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | |
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