GEM*: A Molecular Electronic Density--Based Force Field for Classical Molecular Dynamics Simulations

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https://hal.archives-ouvertes.fr/hal-01287209
Contributor : Jean-Philip Piquemal <>
Submitted on : Saturday, March 12, 2016 - 11:24:31 AM
Last modification on : Wednesday, May 15, 2019 - 11:12:12 AM

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R. Duke, O. Starovoytov, J.-P. Piquemal, G. A. Cisneros. GEM*: A Molecular Electronic Density--Based Force Field for Classical Molecular Dynamics Simulations . Journal of Chemical Theory and Computation, American Chemical Society, 2014, 10, pp.1361-1365. ⟨10.1021/ct500050p⟩. ⟨hal-01287209⟩

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