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Journal articles
Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations
Krystel El Hage 1
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Author IdHAL : krystel-el-hage ORCID : https://orcid.org/0000-0003-4837-3888
Tristan Bereau 2
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Sofie Jakobsen 1, 3
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Markus Meuwly 1
Author
1
Department of Chemistry, University of Basel (Klingelbergstr 80, CH-4056 Basel, Switzerland - Switzerland)
- Unibas - University of Basel (Petersplatz 1, P. O. Box 4001 Basel - Switzerland)
2
Max Planck Institute for Polymer Research (Ackermannweg 10, 55128 Mainz - Germany)
- Max-Planck-Gesellschaft (Jägerstrasse, 10-11, D-10117 Berlin - Germany)
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Journal articles
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https://hal-univ-evry.archives-ouvertes.fr/hal-02160334
Contributor : Krystel El Hage <>
Submitted on : Wednesday, June 19, 2019 - 3:25:46 PM
Last modification on : Wednesday, June 19, 2019 - 3:25:47 PM
Contributor : Krystel El Hage <>
Submitted on : Wednesday, June 19, 2019 - 3:25:46 PM
Last modification on : Wednesday, June 19, 2019 - 3:25:47 PM
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- HAL Id : hal-02160334, version 1
- DOI : 10.1021/acs.jctc.6b00202
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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, American Chemical Society, 2016, 12 (7), pp.3008-3019. ⟨10.1021/acs.jctc.6b00202⟩. ⟨hal-02160334⟩
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