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Title: Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder

Abstract

The ability to reproduce the experimental structure of water around the sodium and potassium ions is a key test of the quality of interaction potentials due to the central importance of these ions in a wide range of important phenomena.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [2];  [3];  [4]; ORCiD logo [2]; ORCiD logo [2];  [5];  [6];  [7]; ORCiD logo [8]; ORCiD logo [9]
  1. Physical Science Division, Pacific Northwest National Laboratory, Richland, USA, School of Chemical Engineering
  2. Physical Science Division, Pacific Northwest National Laboratory, Richland, USA
  3. Swiss Light Source, Paul Scherrer Institut (PSI), 5232 Villigen, Switzerland
  4. X-ray Sciences Division, Advanced Photon Source, Argonne National Laboratory, Lemont, USA
  5. Department of Chemistry, University of Zurich, CH-8057 Zürich, Switzerland, Institute of Theoretical Physics
  6. Department of Chemistry, University of Zurich, CH-8057 Zürich, Switzerland
  7. Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, USA
  8. School of Chemical Engineering, The University of Queensland, Brisbane 4072, Australia
  9. Physical Science Division, Pacific Northwest National Laboratory, Richland, USA, Department of Chemical Engineering
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1580770
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Duignan, Timothy T., Schenter, Gregory K., Fulton, John L., Huthwelker, Thomas, Balasubramanian, Mahalingam, Galib, Mirza, Baer, Marcel D., Wilhelm, Jan, Hutter, Jürg, Del Ben, Mauro, Zhao, X. S., and Mundy, Christopher J. Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder. United Kingdom: N. p., 2020. Web. doi:10.1039/C9CP06161D.
Duignan, Timothy T., Schenter, Gregory K., Fulton, John L., Huthwelker, Thomas, Balasubramanian, Mahalingam, Galib, Mirza, Baer, Marcel D., Wilhelm, Jan, Hutter, Jürg, Del Ben, Mauro, Zhao, X. S., & Mundy, Christopher J. Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder. United Kingdom. doi:10.1039/C9CP06161D.
Duignan, Timothy T., Schenter, Gregory K., Fulton, John L., Huthwelker, Thomas, Balasubramanian, Mahalingam, Galib, Mirza, Baer, Marcel D., Wilhelm, Jan, Hutter, Jürg, Del Ben, Mauro, Zhao, X. S., and Mundy, Christopher J. Wed . "Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder". United Kingdom. doi:10.1039/C9CP06161D.
@article{osti_1580770,
title = {Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder},
author = {Duignan, Timothy T. and Schenter, Gregory K. and Fulton, John L. and Huthwelker, Thomas and Balasubramanian, Mahalingam and Galib, Mirza and Baer, Marcel D. and Wilhelm, Jan and Hutter, Jürg and Del Ben, Mauro and Zhao, X. S. and Mundy, Christopher J.},
abstractNote = {The ability to reproduce the experimental structure of water around the sodium and potassium ions is a key test of the quality of interaction potentials due to the central importance of these ions in a wide range of important phenomena.},
doi = {10.1039/C9CP06161D},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = ,
volume = ,
place = {United Kingdom},
year = {2020},
month = {1}
}

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