ReaxFF Reactive Force Field Development and Applications...

Journal of Physical Chemistry A 2010 / 05 Vol. 114; Iss. 17

ReaxFF Reactive Force Field Development and Applications for Molecular Dynamics Simulations of Ammonia Borane Dehydrogenation and Combustion

Weismiller, Michael R., Duin, Adri C. T. van, Lee, Jongguen, Yetter, Richard A.
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Volume:
114
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp100136c
Date:
May, 2010
File:
PDF, 3.11 MB
english, 2010
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