| Optimization of the anisotropic united atoms intermolecular potential for n-alkanes P Ungerer, C Beauvais, J Delhommelle, A Boutin, B Rousseau, AH Fuchs The Journal of Chemical Physics 112 (12), 5499-5510, 2000 | 346 | 2000 |
| Anisotropic Elastic Properties of Flexible Metal-Organic Frameworks:<? format?> How Soft are Soft Porous Crystals? AU Ortiz, A Boutin, AH Fuchs, FX Coudert Physical review letters 109 (19), 195502, 2012 | 344 | 2012 |
| Thermodynamics of guest-induced structural transitions in hybrid organic− inorganic frameworks FX Coudert, M Jeffroy, AH Fuchs, A Boutin, C Mellot-Draznieks Journal of the American Chemical Society 130 (43), 14294-14302, 2008 | 342 | 2008 |
| Applications of molecular simulation in the oil and gas industry: Monte Carlo methods P Ungerer, B Tavitian, A Boutin Editions Technip, 2005 | 325 | 2005 |
| Stress-based model for the breathing of metal− organic frameworks AV Neimark, FX Coudert, A Boutin, AH Fuchs The journal of physical chemistry letters 1 (1), 445-449, 2010 | 266 | 2010 |
| The Behavior of Flexible MIL-53(Al) upon CH4 and CO2 Adsorption A Boutin, FX Coudert, MA Springuel-Huet, AV Neimark, G Férey, ... The Journal of Physical Chemistry C 114 (50), 22237-22244, 2010 | 251 | 2010 |
| The effect of local defects on water adsorption in silicalite-1 zeolite: A joint experimental and molecular simulation study M Trzpit, M Soulard, J Patarin, N Desbiens, F Cailliez, A Boutin, ... Langmuir 23 (20), 10131-10139, 2007 | 223 | 2007 |
| Breathing transitions in MIL-53 (Al) metal-organic framework upon xenon adsorption. A Boutin, MA Springuel-Huet, A Nossov, A Gedeon, T Loiseau, ... Angewandte Chemie International Edition 48 (44), 8314-7, 2009 | 213 | 2009 |
| Adsorption deformation and structural transitions in metal–organic frameworks: from the unit cell to the crystal FX Coudert, A Boutin, AH Fuchs, AV Neimark The Journal of Physical Chemistry Letters 4 (19), 3198-3205, 2013 | 186 | 2013 |
| Investigating the pressure-induced amorphization of zeolitic imidazolate framework ZIF-8: mechanical instability due to shear mode softening AU Ortiz, A Boutin, AH Fuchs, FX Coudert The journal of physical chemistry letters 4 (11), 1861-1865, 2013 | 186 | 2013 |
| Metal–organic frameworks with wine-rack motif: What determines their flexibility and elastic properties? AU Ortiz, A Boutin, AH Fuchs, FX Coudert The Journal of chemical physics 138 (17), 2013 | 180 | 2013 |
| What makes zeolitic imidazolate frameworks hydrophobic or hydrophilic? The impact of geometry and functionalization on water adsorption AU Ortiz, AP Freitas, A Boutin, AH Fuchs, FX Coudert Physical Chemistry Chemical Physics 16 (21), 9940-9949, 2014 | 178 | 2014 |
| New optimization method for intermolecular potentials: Optimization of a new anisotropic united atoms potential for olefins: Prediction of equilibrium properties E Bourasseau, M Haboudou, A Boutin, AH Fuchs, P Ungerer The Journal of chemical physics 118 (7), 3020-3034, 2003 | 177 | 2003 |
| Structural transitions in MIL-53 (Cr): view from outside and inside AV Neimark, FX Coudert, C Triguero, A Boutin, AH Fuchs, I Beurroies, ... Langmuir 27 (8), 4734-4741, 2011 | 175 | 2011 |
| Molecular simulation studies of water physisorption in zeolites A Di Lella, N Desbiens, A Boutin, I Demachy, P Ungerer, JP Bellat, ... Physical Chemistry Chemical Physics 8 (46), 5396-5406, 2006 | 166 | 2006 |
| Prediction of breathing and gate-opening transitions upon binary mixture adsorption in metal− organic frameworks FX Coudert, C Mellot-Draznieks, AH Fuchs, A Boutin Journal of the American Chemical Society 131 (32), 11329-11331, 2009 | 162 | 2009 |
| Water condensation in hydrophobic silicalite-1 zeolite: a molecular simulation study N Desbiens, A Boutin, I Demachy The Journal of Physical Chemistry B 109 (50), 24071-24076, 2005 | 157 | 2005 |
| Prediction of thermodynamic derivative properties of fluids by Monte Carlo simulation M Lagache, P Ungerer, A Boutin, AH Fuchs Physical Chemistry Chemical Physics 3 (19), 4333-4339, 2001 | 151 | 2001 |
| A simple model for predicting the Na+ distribution in anhydrous NaY and NaX zeolites S Buttefey, A Boutin, C Mellot-Draznieks, AH Fuchs The Journal of Physical Chemistry B 105 (39), 9569-9575, 2001 | 145 | 2001 |
| Development of a transferable guest–host force field for adsorption of hydrocarbons in zeolites I. Reinvestigation of alkane adsorption in silicalite by grand canonical Monte … P Pascual, P Ungerer, B Tavitian, P Pernot, A Boutin Physical Chemistry Chemical Physics 5 (17), 3684-3693, 2003 | 137 | 2003 |
