On the Water−Carbon Interaction for Use in Molecular Dynamics Simulations of Graphite and Carbon Nanotubes

Journal of Physical Chemistry B - Tập 107 Số 6 - Trang 1345-1352 - 2003
T. Werder1, Jens Honoré Walther1, Richard L. Jaffe1, T. Halicioǧlu1, Petros Koumoutsakos1
1Institute of Computational Science, ETH Zürich, CH-8092 Zürich, Switzerland, NASA Ames Research Center, Moffett Field, California 94035, and Eloret Corporation, 690 West Fremont Avenue, Sunnyvale, California 94086

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