Application of the ReaxFF Reactive Force Field to Reactive...

The Journal of Physical Chemistry C 2010 / 04 Vol. 114; Iss. 12

Application of the ReaxFF Reactive Force Field to Reactive Dynamics of Hydrocarbon Chemisorption and Decomposition †

Mueller, Jonathan E., van Duin, Adri C. T., Goddard, William A.
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Volume:
114
Language:
english
Journal:
The Journal of Physical Chemistry C
DOI:
10.1021/jp9089003
Date:
April, 2010
File:
PDF, 4.29 MB
english, 2010
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