APT a next generation QM-based reactive force field model

Author: Rappé A. K.   Bormann-Rochotte L. M.   Wiser D. C.   Hart J. R.   Pietsch M. A.   Casewit C. J.   Skiff W. M.  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.105, Iss.2-3, 2007-01, pp. : 301-324

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Abstract