标题
Transferable coarse-grained model for perfluorosulfonic acid polymer membranes
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 147, Issue 9, Pages 094904
出版商
AIP Publishing
发表日期
2017-10-19
DOI
10.1063/1.4986287
参考文献
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- (2017) Fenglei Cao et al. Journal of Chemical Information and Modeling
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- (2016) An-Tsung Kuo et al. Journal of Physical Chemistry C
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- (2015) Shule Liu et al. Journal of Physical Chemistry C
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- (2013) Klaus-Dieter Kreuer et al. ADVANCED FUNCTIONAL MATERIALS
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- (2013) Marissa G. Saunders et al. Annual Review of Biophysics
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- (2013) Sander Pronk et al. BIOINFORMATICS
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- (2013) W. G. Noid JOURNAL OF CHEMICAL PHYSICS
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- (2013) Wataru Shinoda et al. Soft Matter
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- (2013) Kei Morohoshi et al. Polymers
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- (2012) Marissa G Saunders et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
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- (2012) Wataru Shinoda et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Kirkwood–Buff Coarse-Grained Force Fields for Aqueous Solutions
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