| Co-adsorption and Separation of CO2−CH4 Mixtures in the Highly Flexible MIL-53(Cr) MOF L Hamon, PL Llewellyn, T Devic, A Ghoufi, G Clet, V Guillerm, ... Journal of the American Chemical Society 131 (47), 17490-17499, 2009 | 424 | 2009 |
| Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL‐53(Cr) upon Thermal Activation and CO2 Adsorption F Salles, A Ghoufi, G Maurin, RG Bell, C Mellot‐Draznieks, G Férey Angewandte Chemie International Edition 47 (44), 8487-8491, 2008 | 347 | 2008 |
| Large breathing of the MOF MIL-47 (V IV) under mechanical pressure: a joint experimental–modelling exploration PG Yot, Q Ma, J Haines, Q Yang, A Ghoufi, T Devic, C Serre, V Dmitriev, ... Chemical Science 3 (4), 1100-1104, 2012 | 200 | 2012 |
| Computer modelling of the surface tension of the gas–liquid and liquid–liquid interface A Ghoufi, P Malfreyt, DJ Tildesley Chemical Society Reviews 45 (5), 1387-1409, 2016 | 180 | 2016 |
| Molecular Insight into the Adsorption of H2S in the Flexible MIL-53(Cr) and Rigid MIL-47(V) MOFs: Infrared Spectroscopy Combined to Molecular Simulations L Hamon, H Leclerc, A Ghoufi, L Oliviero, A Travert, JC Lavalley, T Devic, ... The Journal of Physical Chemistry C 115 (5), 2047-2056, 2011 | 169 | 2011 |
| Quasi‐elastic neutron scattering and molecular dynamics study of methane diffusion in metal organic frameworks MIL‐47 (V) and MIL‐53 (Cr) N Rosenbach Jr, H Jobic, A Ghoufi, F Salles, G Maurin, S Bourrelly, ... Angewandte Chemie International Edition 47 (35), 6611-6615, 2008 | 162 | 2008 |
| Microscopic model of the metal–organic framework/polymer interface: a first step toward understanding the compatibility in mixed matrix membranes R Semino, NA Ramsahye, A Ghoufi, G Maurin ACS Applied Materials & Interfaces 8 (1), 809-819, 2016 | 134 | 2016 |
| Structure and dynamics of water confined in a polyamide reverse-osmosis membrane: A molecular-simulation study M Ding, A Szymczyk, F Goujon, A Soldera, A Ghoufi Journal of Membrane Science 458, 236-244, 2014 | 129 | 2014 |
| Hybrid Monte Carlo Simulations Combined with a Phase Mixture Model to Predict the Structural Transitions of a Porous Metal− Organic Framework Material upon Adsorption of Guest … A Ghoufi, G Maurin The Journal of Physical Chemistry C 114 (14), 6496-6502, 2010 | 124 | 2010 |
| Transport Diffusivity of CO2 in the Highly Flexible Metal–Organic Framework MIL‐53(Cr) F Salles, H Jobic, A Ghoufi, PL Llewellyn, C Serre, S Bourrelly, G Férey, ... Angewandte Chemie International Edition 48 (44), 8335-8339, 2009 | 121 | 2009 |
| Molecular simulations of the -alkane liquid-vapor interface: Interfacial properties and their long range corrections C Ibergay, A Ghoufi, F Goujon, P Ungerer, A Boutin, B Rousseau, ... Physical Review E 75 (5), 051602, 2007 | 121 | 2007 |
| Adsorption of CO2, CH4 and their binary mixture in Faujasite NaY: a combination of molecular simulations with gravimetry–manometry and microcalorimetry measurements A Ghoufi, L Gaberova, J Rouquerol, D Vincent, PL Llewellyn, G Maurin Microporous and Mesoporous Materials 119 (1-3), 117-128, 2009 | 117 | 2009 |
| Mesoscale modeling of the water liquid-vapor interface: A surface tension calculation A Ghoufi, P Malfreyt Physical Review E 83 (5), 051601, 2011 | 113 | 2011 |
| Electrically induced breathing of the MIL-53 (Cr) metal–organic framework A Ghoufi, K Benhamed, L Boukli-Hacene, G Maurin ACS central science 3 (5), 394-398, 2017 | 112 | 2017 |
| Surface tension of water and acid gases from Monte Carlo simulations A Ghoufi, F Goujon, V Lachet, P Malfreyt The Journal of chemical physics 128 (15), 2008 | 107 | 2008 |
| Calculation of the surface tension from Monte Carlo simulations: Does the model impact on the finite-size effects? F Biscay, A Ghoufi, F Goujon, V Lachet, P Malfreyt The Journal of chemical physics 130 (18), 2009 | 105 | 2009 |
| Physical properties and hydrogen-bonding network of water–ethanol mixtures from molecular dynamics simulations A Ghoufi, F Artzner, P Malfreyt The Journal of Physical Chemistry B 120 (4), 793-802, 2016 | 103 | 2016 |
| Comparative guest, thermal, and mechanical breathing of the porous metal organic framework MIL-53 (Cr): a computational exploration supported by experiments A Ghoufi, A Subercaze, Q Ma, PG Yot, Y Ke, I Puente-Orench, T Devic, ... The Journal of Physical Chemistry C 116 (24), 13289-13295, 2012 | 103 | 2012 |
| Surface tension of water–alcohol mixtures from Monte Carlo simulations F Biscay, A Ghoufi, P Malfreyt The Journal of Chemical Physics 134 (4), 2011 | 99 | 2011 |
| Tailoring the separation properties of flexible metal-organic frameworks using mechanical pressure N Chanut, A Ghoufi, MV Coulet, S Bourrelly, B Kuchta, G Maurin, ... Nature communications 11 (1), 1216, 2020 | 93 | 2020 |
