@article{a4f3582e21844ad982029a336c9c29b8,
title = "Lennard-Jones parameters for small diameter carbon nanotubes and water for molecular mechanics simulations from van der Waals density functional calculations",
keywords = "carbon nanotubes, DFT, force filed, molecular mechanics, van der Waals, carbon nanotubes, DFT, force filed, molecular mechanics, van der Waals, carbon nanotubes, DFT, force filed, molecular mechanics, van der Waals",
author = "M. Kaukonen and A. Gulans and P. Havu and E. Kauppinen",
year = "2012",
doi = "10.1002/jcc.22884",
language = "English",
volume = "33",
pages = "652--658",
journal = "JOURNAL OF COMPUTATIONAL CHEMISTRY",
issn = "0192-8651",
publisher = "John Wiley & Sons",
number = "6",
}