Molecular Dynamics Computational Study of the199Hg−199Hg NMR Spin−Spin Coupling Constants of [Hg−Hg−Hg]2+in SO2Solution

Autschbach, Jochen; Sterzel, Mariusz

doi:10.1021/ja073166+

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Molecular Dynamics Computational Study of the199Hg−199Hg NMR Spin−Spin Coupling Constants of [Hg−Hg−Hg]2+in SO2Solution

Author(s): Jochen Autschbach , Mariusz Sterzel

Publication date Created: September 2007

Publication date (Print): September 2007

Journal: Journal of the American Chemical Society

Publisher: American Chemical Society (ACS)

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Title: Journal of the American Chemical Society

Abbreviated Title: J. Am. Chem. Soc.

Publisher: American Chemical Society (ACS)

ISSN (Print): 0002-7863

ISSN (Electronic): 1520-5126

Publication date Created: September 2007

Publication date (Print): September 2007

Volume: 129

Issue: 36

Pages: 11093-11099

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DOI: 10.1021/ja073166+

SO-VID: dc059b4e-ab15-43f8-9302-271e8aa28652

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Molecular Dynamics Computational Study of the199Hg−199Hg NMR Spin−Spin Coupling Constants of [Hg−Hg−Hg]2+in SO2Solution

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