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

El Hage, K.; Bereau, Tristan; Jakobsen, S.; Meuwly, M.

doi:10.1021/acs.jctc.6b00202

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

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Bereau, Tristan
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;
Emmy Noether Group Bereau: Biomolecular Simulations, MPI for Polymer Research, Max Planck Society;

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El Hage, K., Bereau, T., Jakobsen, S., & Meuwly, M. (2016). Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations. Journal of Chemical Theory and Computation, 12(7), 3008-3019. doi:10.1021/acs.jctc.6b00202.

Cite as: https://hdl.handle.net/11858/00-001M-0000-002B-2328-9

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