S. Horike, S. Shimomura, and S. Kitagawa, Soft Porous Crystals, Nature Chem, vol.1, pp.695-704, 2009.

A. U. Czaja, N. Trukhan, and U. Müller, Industrial Applications of Metal-Organic Frameworks, Chem. Soc. Rev, vol.38, pp.1284-1293, 2009.

S. Bureekaew, S. Shimomura, and S. Kitagawa, Chemistry and Application of Flexible Porous Coordination Polymers. Sci. Technol. Adv. Mater, vol.9, p.14108, 2008.

G. Férey and C. Serre, Hybrid porous solids: past, present, future, Chem. Soc. Rev, vol.38, pp.1380-1399, 2009.

P. Horcajada, C. Serre, G. ;-maurin, N. A. Ramsahye, F. Balas et al.,

F. Taulelle and G. Férey, Flexible Porous Metal-Organic Frameworks for a Controlled Drug Delivery, J. Am. Chem. Soc, vol.130, p.6774, 2008.
URL : https://hal.archives-ouvertes.fr/hal-00290827

P. K. Thallapally, J. Tian, M. R. Kishan, C. A. Fernandez, S. J. Dalgamo et al., Flexible (Breathing) Interpenetrated Metal-Organic Frameworks for CO 2 Separation Applications, J. Am. Chem. Soc, vol.130, pp.16842-16843, 2008.

T. Remy, G. V. Baron, and J. F. Denayer, Modeling the Effect of Structural Changes during Dynamic Separation Processes on MOFs, Langmuir, vol.27, pp.13064-13071, 2011.

F. Coudert, A. Boutin, M. Jeffroy, C. Mellot-draznieks, and A. H. Fuchs, Thermodynamic Methods and Models to Study Flexible Metal-Organic Frameworks, ChemPhysChem, vol.12, pp.247-258, 2011.
URL : https://hal.archives-ouvertes.fr/hal-02116872

C. Serre, F. Millange, C. Thouvenot, M. Noguës, G. Marsolier et al., Very Large Breathing Effect in the First Nanoporous Chromium(III)-Based Solids: MIL-53 or CrIII(OH).{O2C-C6H4-CO2}.{HO2C-C6H4-CO2H}x, J. Am. Chem. Soc, vol.124, pp.13519-13526, 2002.

S. Bourrelly, B. Moulin, A. Rivera, G. Maurin, S. Devautour-vinot et al., Explanation of the Adsorption of Polar Vapors in the Highly Flexible Metal Organic Framework MIL-53(Cr), J Am Chem Soc, vol.132, pp.9488-9498, 2010.
URL : https://hal.archives-ouvertes.fr/hal-01840524

S. Devautour-vinot, G. Maurin, F. Henn, C. Serre, and G. Ferey, Water and Ethanol Desorption in the Flexible Metal Organic Frameworks, MIL-53 (Cr, Fe), Investigated by Complex Impedance Spectrocopy and Density Functional Theory Calculations, Phys Chem Chem Phys, vol.12, 2010.
URL : https://hal.archives-ouvertes.fr/hal-00522782

N. Guillou, F. Millange, and R. I. Walton, Rapid and Reversible Formation of a Crystalline Hydrate of a Metal-Organic Framework Containing a Tube of Hydrogen-Bonded Water, Chem. Commun, vol.47, pp.713-715, 2011.

F. Salles, S. Bourrelly, H. Jobic, T. Devic, V. Guillerm et al., Molecular Insight into the Adsorption and Diffusion of Water in the Versatile Hydrophilic/Hydrophobic Flexible MIL-53(Cr) MOF, J. Phys. Chem. C, vol.115, pp.10764-10776, 2011.
URL : https://hal.archives-ouvertes.fr/hal-00607865

V. Haigis, F. Coudert, R. Vuilleumier, and A. Boutin, Structure and Dynamics of the Hydrated Metal-Organic Framework MIL-53(Cr) by First-Principles Molecular Dynamics, Phys. Chem. Chem. Phys, vol.15, pp.19049-19056, 2013.

F. Paesani, Water in Metal-Organic Frameworks: Structure and Diffusion of H 2 O in MIL-53(Cr) from Quantum Simulations, Mol. Simul, vol.38, pp.631-641, 2012.

L. Chen, J. P. Mowat, D. Fairen-jimenez, C. A. Morrison, S. P. Thompson et al., Elucidating the Breathing of the Metal-Organic Framework MIL-53(Sc) with ab Initio Molecular Dynamics Simulations and in Situ X-ray Powder Diffraction Experiments, J. Am. Chem. Soc, vol.135, pp.15763-15773, 2013.

C. Volkringer, T. Loiseau, N. Guillou, G. Férey, E. Elkaïm et al., IR Structural Investigations of a Particular Breathing Effect in the MOF-Type Gallium Terephthalate MIL-53(Ga), pp.2241-2249, 2009.
URL : https://hal.archives-ouvertes.fr/hal-01840538

G. Chaplais, A. Simon-masseron, F. Porcher, C. Lecomte, D. Bazer-bachi et al., IM-19: A New Flexible Microporous Gallium Based-MOF Framework with Pressure-and Temperature-Dependent Openings, Phys. Chem. Chem. Phys, vol.11, pp.5241-5245, 2009.

A. Boutin, D. Bousquet, A. U. Ortiz, F. Coudert, A. H. Fuchs et al., Temperature-Induced Structural Transitions in the Gallium-Based MIL-53 Metal-Organic Framework, J. Phys. Chem. C, vol.117, pp.8180-8188, 2013.
URL : https://hal.archives-ouvertes.fr/hal-02113280

. Topas-v4, General Profile and Structure Analysis Software for Powder Diffraction Data, vol.2, 2004.

A. Ballandras, G. Weber, C. Paulin, J. Bellat, and M. Roger, Evidence of Structural Phase Transitions in Silicalite-1 by Infrared Spectroscopy, J. Chem. Phys, vol.139, 2013.

R. Dovesi, R. Orlando, B. Civalleri, C. Roetti, V. R. Saunders et al., CRYSTAL: a Computational Tool for the Ab Initio Study of the Electronic Properties of Crystals, Z. Kristallogr, vol.220, pp.571-573, 2005.

A. D. Becke, Density-Functional Thermochemistry. III. The Role of Exact Exchange, J. Chem. Phys, vol.98, pp.5648-5652, 1993.

C. Lee, W. Yang, and R. G. Parr, Development of the Colle-Salvetti Correlation-Energy Formula Into a Functional of the Electron Density, Phys. Rev. B, vol.37, pp.785-789, 1988.

S. Grimme and . Semiempirical, GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction, J. Comput. Chem, vol.27, pp.1787-1799, 2006.

M. Catti, G. Valerio, R. Dovesi, and M. Causa, Quantum-Mechanical Calculation of the Solid-State Equilibrium MgO+?-Al2O3?MgAl2O4 (Spinel) Versus Pressure, Phys. Rev. B, vol.49, pp.14179-14187, 1994.

R. Pandey and . Jaffe,

J. E. Harrison and N. M. , Ab-Initio Study of High-Pressure Phase-Transition in GaN, J. Phys. Chem. Solids, vol.55, pp.1357-1361, 1994.

F. Pascale, C. M. Zicovich-wilson, F. Lopez, B. Civalleri, R. Orlando et al., The Calculation of the Vibration Frequencies of Crystalline Compounds and its Implementation in the CRYSTAL Code, J. Comput. Chem, vol.25, pp.888-897, 2004.

C. M. Zicovich-wilson, F. Pascale, C. Roetti, V. R. Saunders, R. Orlando et al., The Calculation of the Vibration Frequencies of Alpha-Quartz: the Effect of Hamiltonian and Basis Set, J. Comput. Chem, vol.25, pp.1873-1881, 2004.

M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Van der Waals Density Functional for General Geometries, Phys. Rev. Lett, p.246401, 2004.

S. Goedecker, M. Teter, and J. Hutter, Separable Dual-Space Gaussian Pseudopotentials, Phys. Rev. B, vol.54, pp.1703-1710, 1996.

G. Bussi, . Donadio, and M. Parrinello, Canonical Sampling Through Velocity Rescaling, J. Chem. Phys, p.14101, 2007.

A. Boutin, M. Springuel-huet, A. Nossov, A. Gédéon, T. Loiseau et al., Breathing Transitions in MIL-53(Al) Metal-Organic Framework Upon Xenon Adsorption, Angew. Chem. Int. Ed, vol.48, pp.8314-8317, 2009.
URL : https://hal.archives-ouvertes.fr/hal-00548070

D. Bousquet, F. Coudert, A. G. Fossati, A. V. Neimark, A. H. Fuchs et al., Adsorption Induced Transitions in Soft Porous Crystals: An Osmotic Potential Approach to Multistability and Intermediate Structures, J. Chem. Phys, p.174706, 2013.
URL : https://hal.archives-ouvertes.fr/hal-02116916

Y. Liu, J. Her, A. Dailly, A. J. Ramirez-cuesta, D. A. Neumann et al., Reversible Structural Transition in MIL-53 with Large Temperature Hysteresis, J Am Chem Soc, vol.130, pp.11813-11818, 2008.

A. Boutin, F. Coudert, M. Springuel-huet, A. V. Neimark, G. Férey et al., The Behavior of Flexible MIL-53(Al) upon CH 4 and CO 2 Adsorption, J. Phys. Chem. C, vol.114, pp.22237-22244, 2010.

A. M. Walker, B. Civalleri, B. Slater, C. Mellot-draznieks, F. Cora et al., Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al), Angew. Chem. Intl. Ed, vol.49, pp.7501-7503, 2010.

S. Ehrlich, H. F. Bettinger, and S. Grimme, Dispersion-Driven Conformational Isomerism in ?-Bonded Dimers of Larger Acenes, Angew. Chem. Int. Ed, vol.41, pp.10892-10895, 2013.

A. U. Ortiz, A. Boutin, A. H. Fuchs, and F. Coudert, Anisotropic Elastic Properties of Flexible Metal-Organic Frameworks: How Soft Are Soft Porous Crystals?, Phys. Rev. Lett, vol.109, p.195502, 2012.

C. Triguero, F. Coudert, A. Boutin, A. H. Fuchs, and A. V. Neimark, Mechanism of Breathing Transitions in Metal-Organic Frameworks, J. Phy. Chem. Lett, vol.2, pp.2033-2037, 2011.
URL : https://hal.archives-ouvertes.fr/hal-02113294

A. Ghoufi, G. ;-maurin, and G. Férey, Physics Behind the Guest-Assisted Structural Transitions of a Porous Metal-Organic Framework Material, J. Phy. Chem. Lett, vol.1, pp.2810-2815, 2010.
URL : https://hal.archives-ouvertes.fr/hal-00518346

F. Coudert, The osmotic framework adsorbed solution theory: predicting mixture coadsorption in flexible nanoporous materials, Phys. Chem. Chem. Phys, vol.12, pp.10904-10913, 2010.
URL : https://hal.archives-ouvertes.fr/hal-00548066

F. Millange, N. Guillou, R. I. Walton, J. Grenèche, I. Margiolaki et al., Effect of the nature of the metal on the breathing steps in MOFs with dynamic frameworks, Chem. Commun, pp.4732-4734, 2008.