Gold(I) and Mercury(II)—Isoelectronic Ions with Strongly Different Chemistry: Ab Initio QMCF Molecular Dynamics Simulations of Their Hydration Structure-Reference-Cited by-同舟云学术

Gold(I) and Mercury(II)—Isoelectronic Ions with Strongly Different Chemistry: Ab Initio QMCF Molecular Dynamics Simulations of Their Hydration Structure

Published:2011-04-18 Issue:19 Volume:115 Page:5993-5998
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Lichtenberger Philipp M.¹,Ellmerer Andreas E.¹,Hofer T. S.²,Randolf B. R.²,Rode B. M.²

Affiliation:

1. Akademisches Gymnasium, Angerzellgasse 14, A-6020 Innsbruck, Austria

2. Theoretical Chemistry Division Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innrain 52a, A-6020 Innsbruck, Austria

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp110736y

Reference28 articles.

1. Structure and Dynamics of Au+ Ion in Aqueous Solution: Ab Initio QM/MM MD Simulations

2. Minamata disease: Catastrophic poisoning due to a failed public health response

3. Hydration of Hg2+ in Aqueous Solution Studied by Neutron Diffraction with Isotopic Substitution

4. An EXAFS Spectroscopic, Large-Angle X-Ray Scattering, and Crystallographic Study of Hexahydrated, Dimethyl Sulfoxide and Pyridine 1-Oxide Hexasolvated Mercury(II) Ions

5. Evidence for Sevenfold Coordination in the First Solvation Shell of Hg(II) Aqua Ion

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