Parametric Study of ReaxFF Simulation Parameters for Molecular Dynamics Modeling of Reactive Carbon Gases

标题
Parametric Study of ReaxFF Simulation Parameters for Molecular Dynamics Modeling of Reactive Carbon Gases
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 8, Issue 9, Pages 3003-3008
出版商
American Chemical Society (ACS)
发表日期
2012-07-26
DOI
10.1021/ct300491d

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