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, American Chemical Society, 2018, 9 (11), pp.3062-3067.
⟨10.1021/acs.jpclett.8b01412⟩.
⟨hal-02126841⟩