Alain H. Fuchs
Alain H. Fuchs
Université PSL
Adresse e-mail validée de psl.eu - Page d'accueil
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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
3112000
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
2822008
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
2642012
Adsorption of guest molecules in zeolitic materials: Computational aspects
AH Fuchs, AK Cheetham
The Journal of Physical Chemistry B 105 (31), 7375-7383, 2001
2522001
Interplay between defects, disorder and flexibility in metal-organic frameworks
TD Bennett, AK Cheetham, AH Fuchs, FX Coudert
Nature chemistry 9 (1), 11-16, 2017
2422017
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
2262010
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
1942010
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
1862007
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 121 (44), 8464-8467, 2009
1832009
Computational characterization and prediction of metal–organic framework properties
FX Coudert, AH Fuchs
Coordination Chemistry Reviews 307, 211-236, 2016
1672016
Water condensation in hydrophobic nanopores
N Desbiens, I Demachy, AH Fuchs, H Kirsch‐Rodeschini, M Soulard, ...
Angewandte Chemie International Edition 44 (33), 5310-5313, 2005
1672005
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
1642003
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
1482011
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
1432006
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
1412013
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
1372009
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
1312013
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
1302001
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
1262001
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
1242013
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