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Force Fields for Coarse-Grained Molecular Simulations from a Corresponding States Correlation

✍ Scribed by Mejía, Andrés; Herdes, Carmelo; Müller, Erich A.

Book ID
127263087
Publisher
American Chemical Society
Year
2014
Tongue
English
Weight
637 KB
Volume
53
Category
Article
ISSN
0888-5885

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Force Fields for Coarse-Grained Molecula
Force Fields for Coarse-Grained Molecular Simulations from a Corresponding States Correlation
✍ Mejía, Andrés; Herdes, Carmelo; Müller, Erich A. 📂 Article 📅 2014 🏛 American Chemical Society 🌐 English ⚖ 637 KB

We present a corresponding states correlation based on the description of fluid phase properties by means of an Mie intermolecular potential applied to tangentially bonded spheres. The macroscopic properties of this model fluid are very accurately represented by a recently proposed version of the St