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Parameterizing Complex Reactive Force Fields Using Multiple Objective Evolutionary Strategies (MOES). Part 1: ReaxFF Models for Cyclotrimethylene Trinitramine (RDX) and 1,1-Diamino-2,2-dinitroethene (FOX-7)
Larentzos, James P., Rice, Betsy M., Byrd, Edward F. C., Weingarten, N. Scott, Lill, James V.Volume:
11
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct500788c
Date:
February, 2015
File:
PDF, 722 KB
english, 2015