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Study of the Redox Properties of Singlet and Triplet Tris(2,2′-bipyridine)ruthenium(II) ([Ru(bpy) 3 ] 2+ ) in Aqueous Solution by Full Quantum and Mixed Quantum/Classical Molecular Dynamics Simulations

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Diamantis Polydefkis, Gonthier Jérôme Florian, Tavernelli Ivano, Rothlisberger Ursula,
Project Multiscale Simulations for Biological Signaling and Biomimetic Design
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Original article (peer-reviewed)

Journal The Journal of Physical Chemistry B
Volume (Issue) 118(14)
Page(s) 3950 - 3959
Title of proceedings The Journal of Physical Chemistry B
DOI 10.1021/jp412395x

Open Access

Type of Open Access Repository (Green Open Access)