A new optimization method for the determination of classical force fields. Application to the united atom force field of short alkanes

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https://hal-ensta-paris.archives-ouvertes.fr//hal-01359831
Contributor : Patrice Paricaud <>
Submitted on : Monday, September 5, 2016 - 8:10:09 AM
Last modification on : Wednesday, July 3, 2019 - 10:48:04 AM

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Jiří Janeček, Patrice Paricaud. A new optimization method for the determination of classical force fields. Application to the united atom force field of short alkanes. Fluid Phase Equilibria, Elsevier, 2016, 429, pp.27-36. ⟨10.1016/j.fluid.2016.08.023⟩. ⟨hal-01359831⟩

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