Modified Lennard‐Jones potentials for nanoscale atoms
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DOI: 10.1002/jcc.26368
Abstract: A classical 6–12 Lennard‐Jones (LJ) equation has been widely used to model materials and is the potential of choice in studies when the focus is on fundamental issues. Here we report a systematic study comparing… read more here.
Keywords: distance; pet3 c60; power; lennard jones ... See more keywords