Anne Boutin
TitreCitée parAnnée
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
2922000
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
2342008
Applications of molecular simulation in the oil and gas industry: Monte Carlo methods
P Ungerer, B Tavitian, A Boutin
Editions Technip, 2005
2322005
Anisotropic elastic properties of flexible metal-organic frameworks: how soft are soft porous crystals?
AU Ortiz, A Boutin, AH Fuchs, FX Coudert
Physical review letters 109 (19), 195502, 2012
1922012
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, 2009
1832009
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
1542007
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
1502003
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
1482010
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), 8314-8317, 2009
1482009
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
1232006
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
1232005
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
1212011
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
1202009
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
1172003
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
1092001
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), 174703, 2013
1082013
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
1072001
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
1042013
Thermodynamic methods and models to study flexible metal–organic frameworks
FX Coudert, A Boutin, M Jeffroy, C Mellot‐Draznieks, AH Fuchs
ChemPhysChem 12 (2), 247-258, 2011
1042011
Dipole moment, hydrogen bonding and IR spectrum of confined water
FX Coudert, R Vuilleumier, A Boutin
ChemPhysChem 7 (12), 2464-2467, 2006
1012006
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