Molecular dynamics with rigid bodies: Alternative formulation and assessment of its limitations when employed to simulate liquid water
出版年份 2017 全文链接
标题
Molecular dynamics with rigid bodies: Alternative formulation and assessment of its limitations when employed to simulate liquid water
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 147, Issue 12, Pages 124104
出版商
AIP Publishing
发表日期
2017-09-26
DOI
10.1063/1.5003636
参考文献
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- (2013) Tarak K. Patra et al. JOURNAL OF CHEMICAL PHYSICS
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- (2012) M.B. Nielsen et al. INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING
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- (2012) Aleks Reinhardt et al. JOURNAL OF CHEMICAL PHYSICS
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- (2008) E. Celledoni et al. SIAM JOURNAL ON SCIENTIFIC COMPUTING
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