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...

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Bibliografski detalji
Glavni autori: Johnson, M, Head-Gordon, T, Louis, A
Format: Journal article
Jezik:English
Izdano: 2007