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"Lennard-Jones parameters for small diameter carbon nanotubes and water for ..."

M. Kaukonen et al. (2012)

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DOI: 10.1002/JCC.22884

access: closed

type: Journal Article

metadata version: 2020-11-02

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M. Kaukonen, A. Gulans, P. Havu, Esko I. Kauppinen:
Lennard-Jones parameters for small diameter carbon nanotubes and water for molecular mechanics simulations from van der Waals density functional calculations. J. Comput. Chem. 33(6): 652-658 (2012)

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