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Free Energy-Based Coarse-Grained Force Field for Binary Mixtures of Hydrocarbons, Nitrogen, Oxygen, and Carbon

Fenglei Cao1, Joshua D Deetz1, Huai Sun1,2

  • 1School of Chemistry and Chemical Engineering and Key Laboratory of Scientific and Engineering Computing of Ministry of Education, Shanghai Jiao Tong University , Shanghai 200240, China.

Journal of Chemical Information and Modeling
|December 29, 2016
PubMed

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