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

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.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-002B-2328-9 Version Permalink: https://hdl.handle.net/21.11116/0000-0005-DA0F-6

Genre: Journal Article

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Creators:
El Hage, K., Author
Bereau, Tristan^{1, 2}, Author
Jakobsen, S., Author
Meuwly, M., Author

Affiliations:
1Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society, ou_1800287
2Emmy Noether Group Bereau: Biomolecular Simulations, MPI for Polymer Research, Max Planck Society, ou_2344697

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Language(s): eng - English

Dates: Date issued: 2016

Publication Status: Issued

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Identifiers: DOI: 10.1021/acs.jctc.6b00202

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Title: Journal of Chemical Theory and Computation

Other : J. Chem. Theory Comput.

Source Genre: Journal

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Publ. Info: Washington, D.C. : American Chemical Society

Pages: - Volume / Issue: 12 (7) Sequence Number: - Start / End Page: 3008 - 3019 Identifier: Other: 1549-9618
CoNE: https://pure.mpg.de/cone/journals/resource/111088195283832