Toward a Prediction of the Redox Properties of Electroactive SAMs : a Fee Energy Calculation by Molecular Simulation

Gaelle Filippini (1) , F. Goujon (1) , Christine Bonal (1) , Patrice Malfreyt (1)

1 TSP - Thermodynamique des solutions et des polymères

Domaines: Chimie théorique et/ou physique

Gaelle Filippini, F. Goujon, Christine Bonal, Patrice Malfreyt. Toward a Prediction of the Redox Properties of Electroactive SAMs : a Fee Energy Calculation by Molecular Simulation. Journal of Physical Chemistry B, 2010. ⟨hal-00477625⟩