Quantum Mechanics/Molecular Mechanics Electrostatic Embedding with Continuous and Discrete Functions

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Submitted on : Sunday, May 12, 2019 - 10:28:13 PM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

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G. Andrés Cisneros, Jean-Philip Piquemal, Thomas Darden. Quantum Mechanics/Molecular Mechanics Electrostatic Embedding with Continuous and Discrete Functions. Journal of Physical Chemistry B, American Chemical Society, 2006, 110 (28), pp.13682-13684. ⟨10.1021/jp062768x⟩. ⟨hal-02126805⟩

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