Toward a prediction of the redox properties of electroactive SAMs: A free energy calculation by molecular simulation

Journal of Physical Chemistry B

Volumn 114, Issue 40, 2010, Pages 12897-12907

  Filippini, Gaëlle ^a   Goujon, Florent ^a   Bonal, Christine ^a   Malfreyt, Patrice ^a  

^a UNIVERSITÉ CLERMONT AUVERGNE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHAINS; ELECTROLYTES; INORGANIC COMPOUNDS; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; REDOX REACTIONS; SELF ASSEMBLED MONOLAYERS;

BINARY SELF-ASSEMBLED MONOLAYER; FREE-ENERGY CALCULATIONS; FREE-ENERGY PERTURBATION METHODS; MICROSCOPIC DESCRIPTION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; PERCHLORATE ANIONS; SUPPORTING ELECTROLYTE;

FREE ENERGY;

EID: 77957843282     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp105632w     Document Type: Article

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