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Anne Boutin
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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
3472000
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
3392008
Anisotropic elastic properties of flexible metal-organic frameworks: how soft are soft porous crystals?
AU Ortiz, A Boutin, AH Fuchs, FX Coudert
arXiv preprint arXiv:1209.6378, 2012
3362012
Applications of molecular simulation in the oil and gas industry: Monte Carlo methods
P Ungerer, B Tavitian, A Boutin
Editions Technip, 2005
3182005
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
2632010
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
2472010
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
2232007
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
2132009
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
1812013
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
1812013
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
1772013
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
1742014
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
1742011
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
1742003
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
1632006
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
1622009
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
1572005
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
1492001
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
1412001
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
1392003
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