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

标题
ReaxFF Reactive Force Field Development and Applications for Molecular Dynamics Simulations of Ammonia Borane Dehydrogenation and Combustion
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 114, Issue 17, Pages 5485-5492
出版商
American Chemical Society (ACS)
发表日期
2010-04-13
DOI
10.1021/jp100136c

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