Global optimization of parameters in the reactive force field ReaxFF for SiOH
Author:
Affiliation:
1. Institut für Physikalische Chemie, Christian-Albrechts-University; Olshausenstr. 40 24098 Kiel Germany
2. Department of Mechanical and Nuclear Engineering; The Pennsylvania State University, University Park; Pennsylvania 16802 USA
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23382/fullpdf
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