Krystel El Hage, Tristan Bereau, Sofie Jakobsen, Markus Meuwly. Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations.
Journal of Chemical Theory and Computation, American Chemical Society, 2016, 12 (7), pp.3008-3019.
⟨10.1021/acs.jctc.6b00202⟩.
⟨hal-02160334⟩