Oxidation of Silver Cyanide Ag(CN) 2 – by the OH Radical: From Ab Initio Calculation to Molecular Simulation and to Experiment

Céline Léonard (1) , Frédéric Le Quéré (1) , Daniel Adjei (2) , Sergey Denisov (2) , Mehran Mostafavi (2) , Pierre Archirel (2)

1 MSME - Laboratoire Modélisation et Simulation Multi-Echelle
2 ICP - Institut de Chimie Physique

Domaines: Chimie théorique et/ou physique

Céline Léonard, Frédéric Le Quéré, Daniel Adjei, Sergey Denisov, Mehran Mostafavi, et al.. Oxidation of Silver Cyanide Ag(CN) 2 – by the OH Radical: From Ab Initio Calculation to Molecular Simulation and to Experiment. Journal of Physical Chemistry A, 2020, 124 (51), pp.10787-10798. ⟨10.1021/acs.jpca.0c08038⟩. ⟨hal-03115112⟩