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51

Temperature-Induced Structural Transitions in the Gallium-Based MIL-53 Metal–Organic Framework

Boutin, Anne, Bousquet, David, Ortiz, Aurélie U., Coudert, François-Xavier, Fuchs, Alain H., Ballandras, Anthony, Weber, Guy, Bezverkhyy, Igor, Bellat, Jean-Pierre, Ortiz, Guillaume, Chaplais, Gérald,

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 866 KB

english, 2013

52

Molecular Simulation of Adsorption of Guest Molecules in Zeolitic Materials: A Comparative Study of Intermolecular Potentials

Boutin, Anne, Buttefey, Séverine, Fuchs, Alain H., Cheetham, Anthony K.

Journal:

Molecular Simulation

Year:

2001

Language:

english

File:

PDF, 993 KB

english, 2001

53

Investigating the Pressure-Induced Amorphization of Zeolitic Imidazolate Framework ZIF-8: Mechanical Instability Due to Shear Mode Softening

Ortiz, Aurélie U., Boutin, Anne, Fuchs, Alain H., Coudert, François-Xavier

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 976 KB

english, 2013

54

The Behavior of Flexible MIL-53(Al) upon CH 4 and CO 2 Adsorption

Boutin, Anne, Coudert, François-Xavier, Springuel-Huet, Marie-Anne, Neimark, Alexander V., Férey, Gérard, Fuchs, Alain H.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 1.70 MB

english, 2010

55

Does Water Condense in Hydrophobic Cavities? A Molecular Simulation Study of Hydration in Heterogeneous Nanopores

Cailliez, Fabien, Stirnemann, Guillaume, Boutin, Anne, Demachy, Isabelle, Fuchs, Alain H.

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 1.81 MB

english, 2008

56

Vapour-Liquid Phase Equilibria of n-alkanes by Direct Monte Carlo Simulations

Goujon, Florent, Malfreyt, Patrice, Boutin, Anne, Fuchs, Alain H.

Journal:

Molecular Simulation

Year:

2001

Language:

english

File:

PDF, 705 KB

english, 2001

57

Metal–organic frameworks with wine-rack motif: What determines their flexibility and elastic properties?

Ortiz, Aurélie U., Boutin, A., Fuchs, Alain H., Coudert, François-Xavier

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.44 MB

english, 2013

58

Structural Transitions in MIL-53 (Cr): View from Outside and Inside

Neimark, Alexander V., Coudert, François-Xavier, Triguero, Carles, Boutin, Anne, Fuchs, Alain H., Beurroies, Isabelle, Denoyel, Renaud

Journal:

Year:

2011

Language:

english

File:

PDF, 1.52 MB

english, 2011

59

Prediction of Breathing and Gate-Opening Transitions Upon Binary Mixture Adsorption in Metal−Organic Frameworks

Coudert, François-Xavier, Mellot-Draznieks, Caroline, Fuchs, Alain H., Boutin, Anne

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 338 KB

english, 2009

60

Direct Monte Carlo simulations of the equilibrium properties of n-pentane liquid–vapor interface

Goujon, Florent, Malfreyt, Patrice, Boutin, Anne, Fuchs, Alain H.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 528 KB

english, 2002

61

Thermodynamics of Guest-Induced Structural Transitions in Hybrid Organic−Inorganic Frameworks

Coudert, François-Xavier, Jeffroy, Marie, Fuchs, Alain H., Boutin, Anne, Mellot-Draznieks, Caroline

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 1.28 MB

english, 2008

62

Mechanism of Breathing Transitions in Metal–Organic Frameworks

Triguero, Carles, Coudert, François-Xavier, Boutin, Anne, Fuchs, Alain H., Neimark, Alexander V.

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 1.29 MB

english, 2011

63

Computational Study of p -Xylene/ m -Xylene Mixtures Adsorbed in NaY Zeolite

Lachet, Véronique, Boutin, Anne, Tavitian, Bernard, Fuchs, Alain H.

Journal:

Journal of Physical Chemistry B

Year:

1998

Language:

english

File:

PDF, 161 KB

english, 1998

64

Grand Canonical Monte Carlo Simulations of Adsorption of Polar and Nonpolar Molecules in NaY Zeolite

Pellenq, Roland J-M, Tavitian, Bernard, Espinat, Didier, Fuchs, Alain H.

Journal:

Year:

1996

Language:

english

File:

PDF, 573 KB

english, 1996

65

Molecular Simulation of p -Xylene and m -Xylene Adsorption in Y Zeolites. Single Components and Binary Mixtures Study

Lachet, Véronique, Boutin, Anne, Tavitian, Bernard, Fuchs, Alain H.

Journal:

Year:

1999

Language:

english

File:

PDF, 201 KB

english, 1999

66

Understanding the Effect of Confinement on the Liquid−Gas Transition: A Study of Adsorption Isotherms in a Family of Metal−Organic Frameworks

De Toni, Marta, Pullumbi, Pluton, Coudert, François-Xavier, Fuchs, Alain H.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.59 MB

english, 2010

67

Molecular simulation studies of water physisorption in zeolites

Di Lella, Angela, Desbiens, Nicolas, Boutin, Anne, Demachy, Isabelle, Ungerer, Philippe, Bellat, Jean-Pierre, Fuchs, Alain H.

Journal:

Physical Chemistry Chemical Physics

Year:

2006

Language:

english

File:

PDF, 1.25 MB

english, 2006

68

[American Society of Civil Engineers Ninth International Conference on Creep, Shrinkage, and Durability Mechanics (CONCREEP-9) - Cambridge, Massachusetts, United States (September 22-25, 2013)] Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete - Hydrothermal and Mechanical Stability of Metal-Organic Frameworks

Coudert, François-Xavier, Ortiz, Aurélie, Toni, Marta De, Boutin, Anne, Fuchs, Alain H.

Year:

2013

Language:

english

File:

PDF, 3.52 MB

english, 2013

69

Optimization of the anisotropic united atoms intermolecular potential for n-alkanes

Ungerer, Philippe, Beauvais, Christèle, Delhommelle, Jérôme, Boutin, Anne, Rousseau, Bernard, Fuchs, Alain H.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 516 KB

english, 2000

70

Adsorption of Guest Molecules in Zeolitic Materials: Computational Aspects

Fuchs, Alain H., Cheetham, Anthony K.

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 77 KB

english, 2001

71

Experiment and Theory of Low-Pressure Nitrogen Adsorption in Organic Layers Supported or Grafted on Inorganic Adsorbents: Toward a Tool To Characterize Surfaces of Hybrid Organic/Inorganic Systems

Boutin, Anne, Coasne, Benoit, Fuchs, Alain H., Galarneau, Anne, Di Renzo, Francesco

Journal:

Year:

2012

Language:

english

File:

PDF, 1.08 MB

english, 2012

72

Adsorption Deformation and Structural Transitions in Metal–Organic Frameworks: From the Unit Cell to the Crystal

Coudert, François-Xavier, Boutin, Anne, Fuchs, Alain H., Neimark, Alexander V.

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 3.92 MB

english, 2013

73

Vapour-Liquid Phase Equilibria Predictions of Methane–Alkane Mixtures by Monte Carlo Simulation

Mackie, Allan D., Tavitian, Bernard, Boutin, Anne, Fuchs, Alain H.

Journal:

Molecular Simulation

Year:

1997

Language:

english

File:

PDF, 718 KB

english, 1997

74

Adsorption induced transitions in soft porous crystals: An osmotic potential approach to multistability and intermediate structures

Bousquet, David, Coudert, François-Xavier, Fossati, Alexandre G. J., Neimark, Alexander V., Fuchs, Alain H., Boutin, Anne

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 751 KB

english, 2013

75

Differential adaptation: An operational approach to adaptation for solving numerical problems with CBR

Fuchs, Béatrice, Lieber, Jean, Mille, Alain, Napoli, Amedeo

Journal:

Knowledge-Based Systems

Year:

2014

Language:

english

File:

PDF, 1.60 MB

english, 2014

76

La chirurgie mini-invasive des fractures du rachis thoracolombaire est-elle maxi-irradiante ?

Bronsard, Nicolas, Boli, Tah bi, Challali, Maxime, Padovani, Bernard, Bruneton, Ghislaine, Fuchs, Alain, de Peretti, Fernand

Journal:

Revue de Chirurgie Orthopédique et Traumatologique

Year:

2012

Language:

french

File:

PDF, 67 KB

french, 2012

77

The effect of nalbuphine and droperidol on spontaneous movements during induction of anesthesia with propofol in children

Borgeat, Alain, Fuchs, Thomas, Wilder-Smith, Oliver, Tassonyi, Edomer

Journal:

Journal of Clinical Anesthesia

Year:

1993

Language:

english

File:

PDF, 507 KB

english, 1993

78

Focusing on a Turbulent Layer: Principle of the “Generalized SCIDAR”

Fuchs, Alain, Tallon, Michel, Vernin, Jean

Journal:

Publications of the Astronomical Society of the Pacific

Year:

1998

Language:

english

File:

PDF, 821 KB

english, 1998

79

Water Adsorption in Flexible Gallium-Based MIL-53 Metal–Organic Framework

Coudert, François-Xavier, Ortiz, Aurélie U., Haigis, Volker, Bousquet, David, Fuchs, Alain H., Ballandras, Anthony, Weber, Guy, Bezverkhyy, Igor, Geoffroy, Nicolas, Bellat, Jean-Pierre, Ortiz, Guillau

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.18 MB

english, 2014

80

Melting curve and pressure-volume-temperature data of liquid dimethyl sulfoxide up to 150 MPa

Fuchs, Alain H., Ghelfenstein, Michel, Szwarc, Henri

Journal:

Journal of Chemical & Engineering Data

Year:

1980

Language:

english

File:

PDF, 355 KB

english, 1980

81

Distribution of Sodium Cations in Faujasite-Type Zeolite: A Canonical Parallel Tempering Simulation Study

Beauvais, Christèle, Guerrault, Xavier, Coudert, François-Xavier, Boutin, Anne, Fuchs, Alain H.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 97 KB

english, 2004

82

Solvation Force and Confinement-Induced Phase Transitions of Model Ultra Thin Films

Bordarier, Philippe, Rousseau, Bernard, Fuchs, Alain H.

Journal:

Molecular Simulation

Year:

1996

Language:

english

File:

PDF, 857 KB

english, 1996

83

Toward an Accurate Modeling of the Water−Zeolite Interaction: Calibrating the DFT Approach

Labat, Frédéric, Fuchs, Alain H., Adamo, Carlo

Journal:

The Journal of Physical Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 1.91 MB

english, 2010

84

Unexpected Si:Al Effect on the Binary Mixtures Liquid Phase Adsorption Selectivities in Faujasite Zeolites

Daems, Inge, Méthivier, Alain, Leflaive, Philibert, Fuchs, Alain H., Baron, Gino V., Denayer, Joeri F. M.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 65 KB

english, 2005

85

Unusual Hysteresis Loop in the Adsorption−Desorption of Water in NaY Zeolite at Very Low Pressure

Bellat, Jean-Pierre, Paulin, Christian, Jeffroy, Marie, Boutin, Anne, Paillaud, Jean-Louis, Patarin, Joel, Di Lella, Angela, Fuchs, Alain

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 3.78 MB

english, 2009

86

Pressure, Volume, and Temperature Calculations on an Indonesian Crude Oil Using Detailed NMR Analysis or a Predictive Method To Assess the Properties of the Heavy Fractions

Jaubert, Jean-Noeel, Neau, Evelyne, Peneloux, Andre, Fressigne, Catherine, Fuchs, Alain

Journal:

Industrial & Engineering Chemistry Research

Year:

1995

Language:

english

File:

PDF, 1.35 MB

english, 1995

87

Double Structural Transition in Hybrid Material MIL-53 upon Hydrocarbon Adsorption: The Thermodynamics Behind the Scenes

Coudert, François-Xavier, Mellot-Draznieks, Caroline, Fuchs, Alain H., Boutin, Anne

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 233 KB

english, 2009

88

Predicting Mixture Coadsorption in Soft Porous Crystals: Experimental and Theoretical Study of CO 2 /CH 4 in MIL-53(Al)

Ortiz, Aurélie U., Springuel-Huet, Marie-Anne, Coudert, François-Xavier, Fuchs, Alain H., Boutin, Anne

Journal:

Year:

2012

Language:

english

File:

PDF, 1.77 MB

english, 2012

89

Structural Changes in Nanoporous MFI Zeolites Induced by Tetrachloroethene Adsorption: A Joint Experimental and Simulation Study

Jeffroy, Marie, Weber, Guy, Hostachy, Sarah, Bellat, Jean-Pierre, Fuchs, Alain H., Boutin, Anne

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 4.57 MB

english, 2011

90

Replication characteristics of infectious laryngotracheitis virus in the respiratory and conjunctival mucosa

Reddy, Vishwanatha R. A. P., Steukers, Lennert, Li, Yewei, Fuchs, Walter, Vanderplasschen, Alain, Nauwynck, Hans J.

Journal:

Avian Pathology

Year:

2014

Language:

english

File:

PDF, 1018 KB

english, 2014

91

A Simple Model for Predicting the Na + Distribution in Anhydrous NaY and NaX Zeolites

Buttefey, Séverine, Boutin, Anne, Mellot-Draznieks, Caroline, Fuchs, Alain H.

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 101 KB

english, 2001

92

Water adsorption in hydrophobic MOF channels

Paranthaman, Selvarengan, Coudert, François-Xavier, Fuchs, Alain H.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.36 MB

english, 2010

93

Structural changes in nanoporous solids due to fluid adsorption: thermodynamic analysis and Monte Carlo simulations

Jeffroy, Marie, Fuchs, Alain H., Boutin, Anne

Journal:

Chemical Communications

Year:

2008

Language:

english

File:

PDF, 670 KB

english, 2008

94

Molecular simulation of adsorption equilibria of xylene isomer mixtures in faujasite zeolites. A study of the cation exchange effect on adsorption selectivity

Lachet, Ve´ronique, Buttefey, Se´verine, Boutin, Anne, Fuchs, Alain H.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 224 KB

english, 2001

95

Comment on “Volume shrinkage of a metal–organic framework host induced by the dispersive attraction of guest gas molecules”

Coudert, François-Xavier, Fuchs, Alain H., Neimark, Alexander V.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.11 MB

english, 2014

96

10.1039/b103808g

Mellot-Draznieks, Caroline, Buttefey, Severine, Boutin, Anne, Fuchs, Alain H.

Journal:

Chemical Communications

Year:

2001

Language:

english

File:

PDF, 113 KB

english, 2001

97

Structure and solvation forces in confined alkane films

Porcheron, Fabien, Rousseau, Bernard, Schoen, Martin, Fuchs, Alain H.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 218 KB

english, 2001

98

Grand canonical Monte Carlo simulations of adsorption of mixtures of xylene molecules in faujasite zeolites

Lachet, Ve′ronique, Boutin, Anne, Tavitian, Bernard, Fuchs, Alain H.

Journal:

Faraday Discussions

Year:

1997

Language:

english

File:

PDF, 357 KB

english, 1997

99

Monte Carlo simulations of nanoconfined n-decane films

Porcheron, Fabien, Rousseau, Bernard, H. Fuchs, Alain, Schoen, Martin

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 180 KB

english, 1999

100

From molecular clusters to bulk matter. II. Crossover from icosahedral to crystalline structures in CO[sub 2] clusters

Maillet, Jean-Bernard, Boutin, Anne, Fuchs, Alain H.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 436 KB

english, 1999