Molecular integral equations theory in the near critical region of CO2
Fuente:
arXiv
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| Main Authors: | Mohamed, Mohamed Houssein, Belloni, Luc, Borgis, Daniel, Ingrosso, Francesca, Carof, Antoine |
|---|---|
| Format: | Preprint |
| Published: |
2023
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| Subjects: | |
| Online Access: | |
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