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  Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion- Water Pair Potentials Based on Ab Initio Molecular Dynamics Data

Bernhardt, M. P., Nagata, Y., & van der Vegt, N. F. A. (2022). Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion- Water Pair Potentials Based on Ab Initio Molecular Dynamics Data. The Journal of Physical Chemistry Letters, 13(16), 3712-3717. doi:10.1021/acs.jpclett.2c00121.

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 Creators:
Bernhardt, Marvin P., Author
Nagata, Yuki1, Author              
van der Vegt, Nico F. A., Author
Affiliations:
1Dept. Bonn: Molecular Spectroscopy, MPI for Polymer Research, Max Planck Society, ou_1800285              

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Language(s): eng - English
 Dates: 2022-04-19
 Publication Status: Published online
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1021/acs.jpclett.2c00121
 Degree: -

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Project name : MaxWater Initiative by the Max Planck Society
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Funding organization : Max Planck Society

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Title: The Journal of Physical Chemistry Letters
  Abbreviation : J. Phys. Chem. Lett.
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 13 (16) Sequence Number: - Start / End Page: 3712 - 3717 Identifier: ISSN: 1948-7185
CoNE: https://pure.mpg.de/cone/journals/resource/1948-7185