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33645089647
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note
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Note that the optimal adsorption site in the coarse-grained description of the surface corresponds to the center of the equilateral triangle, whose vertices are three interacting sites of the surface. Note also that the the coarse-grained surface only reflects the basic geometrical properties of the real surface, but they are not identical.
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35
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0004019586
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edited by K. Binder (Oxford University Press, Oxford)
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Max-Planck-Institut für Festkörperforschung and IBM Zurich Research Laboratory
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J. Hutter, A. Alavi, T. Deutsch, M. Bernasconi, S. Goedecker, D. Marx, M. Tuckerman, and M. Parrinello, Computer Code CPMD Version 3.4.1 (Max-Planck-Institut für Festkörperforschung and IBM Zurich Research Laboratory, 1999).
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Computer Code CPMD Version 3.4.1
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0004036594
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edited by K. Binder and G. Gallavotti (Italian Physical Society, Bologna) Chap. 25
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A. Alavi, in Monte Carlo and Molecular Dynamics of Condensed Matter Systems, edited by K. Binder and G. Gallavotti (Italian Physical Society, Bologna, 1996), Chap. 25, p. 649.
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Alavi, A.1
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33645048959
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Ph.D. thesis, Cambridge University
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M.H. Lee, Ph.D. thesis, Cambridge University, 1995.
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Lee, M.H.1
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