What is it about?
Describes the initial version of the ReaxFF method - later updated in 2005
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Why is it important?
Still the main publication for the ReaxFF concepts.
Read the Original
This page is a summary of: ReaxFF: A Reactive Force Field for Hydrocarbons, The Journal of Physical Chemistry A, September 2001, American Chemical Society (ACS),
DOI: 10.1021/jp004368u.
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