Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations - Archive ouverte HAL Access content directly
Journal Articles Journal of Chemical Theory and Computation Year : 2016

Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations

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hal-02160334 , version 1 (19-06-2019)

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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, 2016, 12 (7), pp.3008-3019. ⟨10.1021/acs.jctc.6b00202⟩. ⟨hal-02160334⟩

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