QM/MM Simulations with the Gaussian Electrostatic Model: A Density-based Polarizable Potential - Archive ouverte HAL Access content directly
Journal Articles Journal of Physical Chemistry Letters Year : 2018

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hal-02126841 , version 1 (12-05-2019)

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Hatice Gökcan, Eric Kratz, Thomas Darden, Jean-Philip Piquemal, G. Andrés Cisneros. QM/MM Simulations with the Gaussian Electrostatic Model: A Density-based Polarizable Potential. Journal of Physical Chemistry Letters, 2018, 9 (11), pp.3062-3067. ⟨10.1021/acs.jpclett.8b01412⟩. ⟨hal-02126841⟩
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