| 1 |
Solvation of the Guanidinium Ion in Pure Aqueous Environments: A Theoretical Study from an "Ab Initio"-Based Polarizable Force Field
Houriez C, Meot-Ner M, Masella M
Journal of Physical Chemistry B, 121(50), 11219, 2017 |
| 2 |
Extrapolating Single Organic Ion Solvation Thermochemistry from Simulated Water Nanodroplets
Coles JP, Houriez C, Meot-Ner M, Masella M
Journal of Physical Chemistry B, 120(35), 9402, 2016 |
| 3 |
Benchmark binding energies of ammonium and alkyl-ammonium ions interacting with water. Are ammonium-water hydrogen bonds strong?
Vallet V, Masella M
Chemical Physics Letters, 618, 168, 2015 |
| 4 |
Simulated Solvation of Organic Ions II: Study of Linear Alkylated Carboxylate Ions in Water Nanodrops and in Liquid Water. Propensity for Air/Water Interface and Convergence to Bulk Solvation Properties
Houriez C, Meot-Ner M, Masella M
Journal of Physical Chemistry B, 119(36), 12094, 2015 |
| 5 |
Simulated Solvation of Organic Ions: Protonated Methylamines in Water Nanodroplets. Convergence toward Bulk Properties and the Absolute Proton Solvation Enthalpy
Houriez C, Meot-Ner M, Masella M
Journal of Physical Chemistry B, 118(23), 6222, 2014 |
| 6 |
Structure and Spectromagnetic Properties of the Superoxide Radical Adduct of DMPO in Water: Elucidation by Theoretical Investigations
Houriez C, Ferre N, Siri D, Tordo P, Masella M
Journal of Physical Chemistry B, 114(36), 11793, 2010 |
| 7 |
Structure and Spectromagnetic Properties of the Superoxide Radical Adduct of the DMPO in Water: Elucidation by Theoretical Investigations (114B, pg 11793, 2010)
Houriez C, Ferre N, Siri D, Tordo P, Masella M
Journal of Physical Chemistry B, 114(42), 13616, 2010 |
| 8 |
Quantum Chemical and Molecular Dynamics Study of the Coordination of Th(IV) in Aqueous Solvent
Real F, Trumm M, Vallet V, Schimmelpfennig B, Masella M, Flament JP
Journal of Physical Chemistry B, 114(48), 15913, 2010 |
| 9 |
Further Insights into the Environmental Effects on the Computed Hyperfine Coupling Constants of Nitroxides in Aqueous Solution
Houriez C, Ferre N, Siri D, Masella M
Journal of Physical Chemistry B, 113(45), 15047, 2009 |
| 10 |
Electronic basis of the comparable hydrogen bond properties of small H2CO/(H2O)(n) and H2NO/(H2O)n systems (n=1, 2)
Houriez C, Ferre N, Flament JP, Masella M, Siri D
Journal of Physical Chemistry A, 111(45), 11673, 2007 |
