Development of a ReaxFF Force Field for Cu/S/C/H and...

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Journal of Physical Chemistry B 2017 / 10

Development of a ReaxFF Force Field for Cu/S/C/H and Reactive MD Simulations of Methyl Thiolate Decomposition on Cu (100)

Yeon, Jejoon, Adams, Heather L, Junkermeier, Chad, van Duin, Adri C.T., Tysoe, Wilfred T., Martini, Ashlie
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Language:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/acs.jpcb.7b06976
Date:
October, 2017
File:
PDF, 2.40 MB
english, 2017
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