Representability problems for coarse-grained water potentials.
The use of an effective intermolecular potential often involves a compromise between more accurate, complex functional forms and more tractable simple representations. To study this choice in detail, we systematically derive coarse-grained isotropic pair potentials that accurately reproduce the oxyg...
| Główni autorzy: | , , |
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| Format: | Journal article |
| Język: | English |
| Wydane: |
2007
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