| 1 |
Associations of Water-Soluble Macrocyclic Hosts with 4-Aminoazobenzene: Impact of pH
Gamier L, Sarraute S, Israeli Y, Bonal C, Malfreyt P
Journal of Physical Chemistry B, 122(50), 11953, 2018 |
| 2 |
Free Energy Calculations in Electroactive Self-Assembled Monolayers (SAMs): Impact of the Chain Length on the Redox Reaction
Filippini G, Israeli Y, Goujon F, Limoges B, Bonal C, Malfreyt P
Journal of Physical Chemistry B, 115(40), 11678, 2011 |
| 3 |
Molecular Dynamics Simulations of Ferrocene-Terminated Self-Assembled Monolayers
Goujon F, Bonal C, Limoges B, Malfreyt P
Journal of Physical Chemistry B, 114(19), 6447, 2010 |
| 4 |
Toward a Prediction of the Redox Properties of Electroactive SAMs: A Free Energy Calculation by Molecular Simulation
Filippini G, Goujon F, Bonal C, Malfreyt P
Journal of Physical Chemistry B, 114(40), 12897, 2010 |
| 5 |
Description of Ferrocenylalkylthiol SAMs on Gold by Molecular Dynamics Simulations
Goujon F, Bonal C, Limoges B, Malfreyt P
Langmuir, 25(16), 9164, 2009 |
| 6 |
Molecular Dynamics Description of Grafted Monolayers: Effect of the Surface Coverage
Goujon F, Bonal C, Limoges B, Malfreyt P
Journal of Physical Chemistry B, 112(45), 14221, 2008 |
| 7 |
Computational and experimental investigations of supramolecular assemblies of p-sulfonatocalix[4]arene organized by weak forces
Ghoufi A, Pison L, Morel JP, Morel-Desrosiers N, Bonal C, Malfreyt P
Journal of Physical Chemistry B, 111(39), 11478, 2007 |
| 8 |
Structures and energetics of complexes of the p-sulfonatocalix[4]arene with ammonium, alkylammonium, and tetraalkylammonium cations in water using molecular dynamics simulations
Ghoufi A, Bonal C, Morel JP, Morel-Desrosiers N, Malfreyt P
Journal of Physical Chemistry B, 108(16), 5095, 2004 |
| 9 |
Gibbs free energy perturbation calculations: An application to the binding of alkylammonium cations by a water-soluble calixarene
Ghoufi A, Bonal C, Morel JP, Morel-Desrosiers N, Malfreyt P
Journal of Physical Chemistry B, 108(31), 11744, 2004 |
| 10 |
Molecular dynamics simulations of p-sulfonatocalix[4]arene complexes with inorganic and organic cations in water: A structural and thermodynamic study
Mendes A, Bonal C, Morel-Desrosiers N, Morel JP, Malfreyt P
Journal of Physical Chemistry B, 106(17), 4516, 2002 |
