The Solvation Structure of Na<sup>+</sup> and K<sup>+</sup> in Liquid Water Determined from High Level <i>ab Initio</i> Molecular Dynamics Simulations
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- Christopher N. Rowley
- Department of Biochemistry and Molecular Biology, The University of Chicago, 929 East 57th Street, Chicago, Illinois, United States
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- Benoı̂t Roux
- Department of Biochemistry and Molecular Biology, The University of Chicago, 929 East 57th Street, Chicago, Illinois, United States
収録刊行物
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- Journal of Chemical Theory and Computation
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Journal of Chemical Theory and Computation 8 (10), 3526-3535, 2012-04-19
American Chemical Society (ACS)