RMDff: A smoothly transitioning, forcefield-based representation of kinetics for reactive molecular dynamics simulations

Author: Smith K. D.   Stoliarov S. I.   Nyden M. R.   Westmoreland P. R.  

Publisher: Taylor & Francis Ltd

ISSN: 0892-7022

Source: Molecular Simulation, Vol.33, Iss.4-5, 2007-04, pp. : 361-368

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Abstract