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Département de Chimie - ENS
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Found 6 results

2013
Bianco R, Hay JP, Hynes JT.  2013.  Theoretical Study of Water Oxidation by the Ruthenium Blue Dimer. II. Proton Relay Chain Mechanism for the Step [bpy2(HOO)RuIVORuIV(OH)bpy2]4+ → [bpy2(O2–)RuIVORuIII(OH2)bpy2]4+. The Journal of Physical Chemistry B. 117(49):15761-15773.
2011
Wang S, Bianco R, Hynes JT.  2011.  An atmospherically relevant acid: HNO3. Computational and Theoretical Chemistry. 965(2-3):340-345.
Bianco R, Hay JP, Hynes JT.  2011.  Theoretical Study of O–O Single Bond Formation in the Oxidation of Water by the Ruthenium Blue Dimer. The Journal of Physical Chemistry A. 115(27):8003-8016.
2010
Wang S, Bianco R, Hynes JT.  2010.  Dissociation of nitric acid at an aqueous surface: Large amplitude motions in the contact ion pair to solvent-separated ion pair conversion. Physical Chemistry Chemical Physics. 12(29):8241.
2009
Wang S, Bianco R, Hynes JT.  2009.  Nitric Acid Dissociation at an Aqueous Surface: Occurrence and Mechanism. Israel Journal of Chemistry. 49(2):251-259.
Wang S, Bianco R, Hynes JT.  2009.  Depth-Dependent Dissociation of Nitric Acid at an Aqueous Surface: Car−Parrinello Molecular Dynamics. The Journal of Physical Chemistry A. 113(7):1295-1307.