François-Xavier Coudert - Publications

Affiliations: 
CNRS, Paris, Île-de-France, France 
Area:
statistical thermodynamics, molecular simulation, physical chemistry, theoretical chemistry

152 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Mouhat F, Coudert FX, Bocquet ML. Structure and chemistry of graphene oxide in liquid water from first principles. Nature Communications. 11: 1566. PMID 32218448 DOI: 10.1038/s41467-020-15381-y  0.72
2019 Hou J, Ashling CW, Collins SM, Krajnc A, Zhou C, Longley L, Johnstone DN, Chater PA, Li S, Coulet MV, Llewellyn PL, Coudert FX, Keen DA, Midgley PA, Mali G, et al. Metal-organic framework crystal-glass composites. Nature Communications. 10: 2580. PMID 31189892 DOI: 10.1038/s41467-019-10470-z  0.4
2019 Fraux G, Chibani S, Coudert FX. Modelling of framework materials at multiple scales: current practices and open questions. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 377: 20180220. PMID 31130101 DOI: 10.1098/rsta.2018.0220  0.88
2019 Widmer RN, Lampronti GI, Chibani S, Wilson CW, Anzellini S, Farsang S, Kleppe AK, Casati NPM, G MacLeod S, Redfern SAT, Coudert FX, Bennett TD. Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space. Journal of the American Chemical Society. PMID 31117654 DOI: 10.1021/jacs.9b03234  0.4
2019 Yan J, Maag AR, MacDonald J, Coudert FX, Burdette S. MOF Decomposition and Introduction of Repairable Defects Using a Photodegradable Strut. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30934136 DOI: 10.1002/chem.201901213  0.6
2019 Widmer RN, Lampronti GI, Anzellini S, Gaillac R, Farsang S, Zhou C, Belenguer AM, Wilson CW, Palmer H, Kleppe AK, Wharmby MT, Yu X, Cohen SM, Telfer SG, Redfern SAT, ... Coudert FX, et al. Pressure promoted low-temperature melting of metal-organic frameworks. Nature Materials. PMID 30886398 DOI: 10.1038/s41563-019-0317-4  0.8
2019 Dürholt JP, Fraux G, Coudert FX, Schmid R. Ab Initio Derived Force Fields for Zeolitic Imidazolate Frameworks: MOF-FF for ZIFs. Journal of Chemical Theory and Computation. PMID 30865448 DOI: 10.1021/acs.jctc.8b01041  0.88
2018 Yan J, Wilbraham L, Basa PN, Schüttel M, MacDonald JC, Ciofini I, Coudert FX, Burdette SC. Emissive Azobenzenes Delivered on a Silver Coordination Polymer. Inorganic Chemistry. PMID 30444120 DOI: 10.1021/acs.inorgchem.8b02845  1
2018 Baise M, Maffettone PM, Trousselet F, Funnell NP, Coudert FX, Goodwin AL. Negative Hydration Expansion in ZrW_{2}O_{8}: Microscopic Mechanism, Spaghetti Dynamics, and Negative Thermal Expansion. Physical Review Letters. 120: 265501. PMID 30004783 DOI: 10.1103/PhysRevLett.120.265501  0.68
2018 Scalfi L, Fraux G, Boutin A, Coudert FX. Structure and Dynamics of Water Confined in Imogolite Nanotubes. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29782170 DOI: 10.1021/acs.langmuir.8b01115  1
2018 Lü J, Perez-Krap C, Trousselet F, Yan Y, Alsmail NH, Karadeniz B, Jacques NM, Lewis W, Blake AJ, Coudert FX, Cao R, Schröder M. Polycatenated 2D Hydrogen-Bonded Binary Supramolecular Organic Frameworks (SOFs) with Enhanced Gas Adsorption and Selectivity. Crystal Growth & Design. 18: 2555-2562. PMID 29651229 DOI: 10.1021/acs.cgd.8b00153  0.68
2018 Perrin E, Schoen M, Coudert FX, Boutin A. Structure and Dynamics of Solvated Polymers near a Silica Surface: On the Different Roles Played by Solvent. The Journal of Physical Chemistry. B. 122: 4573-4582. PMID 29620905 DOI: 10.1021/acs.jpcb.7b11753  1
2017 Fraux G, Coudert FX, Boutin A, Fuchs AH. Forced intrusion of water and aqueous solutions in microporous materials: from fundamental thermodynamics to energy storage devices. Chemical Society Reviews. PMID 29051934 DOI: 10.1039/c7cs00478h  1
2017 Gaillac R, Pullumbi P, Beyer KA, Chapman KW, Keen DA, Bennett TD, Coudert FX. Liquid metal-organic frameworks. Nature Materials. PMID 29035353 DOI: 10.1038/nmat4998  0.92
2017 Fraux G, Coudert FX. Recent advances in the computational chemistry of soft porous crystals. Chemical Communications (Cambridge, England). 53: 7211-7221. PMID 28634602 DOI: 10.1039/c7cc03306k  0.88
2017 Vanson JM, Coudert FX, Klotz M, Boutin A. Kinetic accessibility of porous materials adsorption sites studied through Lattice Boltzmann method. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28121447 DOI: 10.1021/acs.langmuir.6b04472  1
2017 Vanson JM, Boutin A, Klotz M, Coudert FX. Transport and adsorption under liquid flow: the role of pore geometry. Soft Matter. PMID 28074205 DOI: 10.1039/c6sm02414a  1
2016 Bennett TD, Cheetham AK, Fuchs AH, Coudert FX. Interplay between defects, disorder and flexibility in metal-organic frameworks. Nature Chemistry. 9: 11-16. PMID 27995920 DOI: 10.1038/nchem.2691  1
2016 Wilbraham L, Coudert FX, Ciofini I. Modelling photophysical properties of metal-organic frameworks: a density functional theory based approach. Physical Chemistry Chemical Physics : Pccp. 18: 25176-25182. PMID 27722300 DOI: 10.1039/c6cp04056j  1
2016 Gaillac R, Pullumbi P, Coudert FX. ELATE: an open-source online application for analysis and visualization of elastic tensors. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 275201. PMID 27199239 DOI: 10.1088/0953-8984/28/27/275201  0.92
2016 Corradini D, Coudert FX, Vuilleumier R. Carbon dioxide transport in molten calcium carbonate occurs through an oxo-Grotthuss mechanism via a pyrocarbonate anion. Nature Chemistry. 8: 454-60. PMID 27102679 DOI: 10.1038/nchem.2450  0.8
2016 Krause S, Bon V, Senkovska I, Stoeck U, Wallacher D, Többens DM, Zander S, Pillai RS, Maurin G, Coudert FX, Kaskel S. A pressure-amplifying framework material with negative gas adsorption transitions. Nature. PMID 27049950 DOI: 10.1038/nature17430  1
2016 Corradini D, Coudert FX, Vuilleumier R. Insight into the Li2CO3-K2CO3 eutectic mixture from classical molecular dynamics: Thermodynamics, structure, and dynamics. The Journal of Chemical Physics. 144: 104507. PMID 26979697 DOI: 10.1063/1.4943392  0.8
2016 Yan Y, Juríček M, Coudert FX, Vermeulen NA, Grunder S, Dailly A, Lewis W, Blake AJ, Stoddart JF, Schröder M. Non-Interpenetrated Metal-Organic Frameworks Based on Copper(II) Paddlewheel and Oligoparaxylene-Isophthalate Linkers: Synthesis, Structure, and Gas Adsorption. Journal of the American Chemical Society. PMID 26928460 DOI: 10.1021/jacs.5b12312  1
2016 Bennett TD, H Fuchs A, Cheetham AK, Coudert FX. Flexibility and disorder in metal-organic frameworks. Dalton Transactions (Cambridge, England : 2003). PMID 26902898 DOI: 10.1039/c6dt90026g  1
2016 Cheetham AK, Bennett TD, Coudert FX, Goodwin AL. Defects and disorder in metal organic frameworks. Dalton Transactions (Cambridge, England : 2003). PMID 26836459 DOI: 10.1039/c5dt04392a  1
2016 Hobday CL, Marshall RJ, Murphie CF, Sotelo J, Richards T, Allan DR, Düren T, Coudert FX, Forgan RS, Morrison CA, Moggach SA, Bennett TD. A Computational and Experimental Approach Linking Disorder, High-Pressure Behavior, and Mechanical Properties in UiO Frameworks. Angewandte Chemie (International Ed. in English). 55: 2401-5. PMID 26797762 DOI: 10.1002/anie.201509352  0.4
2016 Thornton AW, Babarao R, Jain A, Trousselet F, Coudert FX. Defects in metal-organic frameworks: a compromise between adsorption and stability? Dalton Transactions (Cambridge, England : 2003). PMID 26733113 DOI: 10.1039/c5dt04330a  1
2016 Coudert FX, Fuchs AH, Neimark AV. Adsorption deformation of microporous composites. Dalton Transactions (Cambridge, England : 2003). 45: 4136-40. PMID 26600091 DOI: 10.1039/c5dt03978a  1
2016 Coudert FX, Fuchs AH, Neimark AV. Adsorption deformation of microporous composites Dalton Transactions. 45: 4136-4140. DOI: 10.1039/c5dt03978a  1
2016 Ferguson A, Liu L, Tapperwijn SJ, Perl D, Coudert FX, Van Cleuvenbergen S, Verbiest T, Van Der Veen MA, Telfer SG. Controlled partial interpenetration in metal-organic frameworks Nature Chemistry. 8: 250-257. DOI: 10.1038/nchem.2430  1
2016 Lee SJ, Doussot C, Baux A, Liu L, Jameson GB, Richardson C, Pak JJ, Trousselet F, Coudert FX, Telfer SG. Multicomponent Metal-Organic Frameworks as Defect-Tolerant Materials Chemistry of Materials. 28: 368-375. DOI: 10.1021/acs.chemmater.5b04306  1
2016 Weber G, Bezverkhyy I, Bellat JP, Ballandras A, Ortiz G, Chaplais G, Patarin J, Coudert FX, Fuchs AH, Boutin A. Mechanism of water adsorption in the large pore form of the gallium-based MIL-53 metal-organic framework Microporous and Mesoporous Materials. 222: 145-152. DOI: 10.1016/j.micromeso.2015.10.003  1
2016 Hobday CL, Marshall RJ, Murphie CF, Sotelo J, Richards T, Allan DR, Düren T, Coudert FX, Forgan RS, Morrison CA, Moggach SA, Bennett TD. A computational and experimental approach linking disorder, high-pressure behavior, and mechanical properties in UiO frameworks Angewandte Chemie - International Edition. 55: 2401-2405. DOI: 10.1002/anie.201509352  1
2015 Haigis V, Coudert FX, Vuilleumier R, Boutin A, Fuchs AH. Hydrothermal Breakdown of Flexible Metal-Organic Frameworks: A Study by First-Principles Molecular Dynamics. The Journal of Physical Chemistry Letters. 6: 4365-70. PMID 26722973 DOI: 10.1021/acs.jpclett.5b01926  1
2015 Mouhat F, Bousquet D, Boutin A, Bouëssel du Bourg L, Coudert FX, Fuchs AH. Softening upon Adsorption in Microporous Materials: A Counterintuitive Mechanical Response. The Journal of Physical Chemistry Letters. 6: 4265-9. PMID 26538042 DOI: 10.1021/acs.jpclett.5b01965  1
2015 Vanson JM, Coudert FX, Rotenberg B, Levesque M, Tardivat C, Klotz M, Boutin A. Unexpected coupling between flow and adsorption in porous media. Soft Matter. 11: 6125-33. PMID 26139013 DOI: 10.1039/c5sm01348h  1
2015 Tominaka S, Coudert FX, Dao TD, Nagao T, Cheetham AK. Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework. Journal of the American Chemical Society. 137: 6428-31. PMID 25938518 DOI: 10.1021/jacs.5b02777  1
2015 Cliffe MJ, Hill JA, Murray CA, Coudert FX, Goodwin AL. Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal-organic framework. Physical Chemistry Chemical Physics : Pccp. 17: 11586-92. PMID 25866163 DOI: 10.1039/c5cp01307k  1
2015 Serra-Crespo P, Dikhtiarenko A, Stavitski E, Juan-Alcañiz J, Kapteijn F, Coudert FX, Gascon J. Experimental Evidence of Negative Linear Compressibility in the MIL-53 Metal-Organic Framework Family. Crystengcomm / Rsc. 17: 276-280. PMID 25722647 DOI: 10.1039/C4CE00436A  1
2015 Coudert FX. Metal-organic frameworks: The pressure is on Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 71: 585-586. DOI: 10.1107/S2052520615020934  1
2015 Coudert FX, Düren T. Molecular simulation of framework materials Molecular Simulation. 41: 1309-1310. DOI: 10.1080/08927022.2015.1068028  1
2015 Vanson JM, Coudert FX, Rotenberg B, Levesque M, Tardivat C, Klotz M, Boutin A. Unexpected coupling between flow and adsorption in porous media Soft Matter. 11: 6125-6133. DOI: 10.1039/c5sm01348h  1
2015 Siddorn M, Coudert FX, Evans KE, Marmier A. A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST Physical Chemistry Chemical Physics. 17: 17927-17933. DOI: 10.1039/c5cp01168j  1
2015 Coudert FX. Strontium's scarlet sparkles Nature Chemistry. 7: 940. DOI: 10.1038/nchem.2376  1
2015 Mouhat F, Bousquet D, Boutin A, Bouëssel Du Bourg L, Coudert FX, Fuchs AH. Softening upon Adsorption in Microporous Materials: A Counterintuitive Mechanical Response Journal of Physical Chemistry Letters. 6: 4265-4269. DOI: 10.1021/acs.jpclett.5b01965  1
2015 Haigis V, Coudert FX, Vuilleumier R, Boutin A, Fuchs AH. Hydrothermal Breakdown of Flexible Metal-Organic Frameworks: A Study by First-Principles Molecular Dynamics Journal of Physical Chemistry Letters. 6: 4365-4370. DOI: 10.1021/acs.jpclett.5b01926  1
2015 Trousselet F, Boutin A, Coudert FX. Novel Porous Polymorphs of Zinc Cyanide with Rich Thermal and Mechanical Behavior Chemistry of Materials. 27: 4422-4430. DOI: 10.1021/acs.chemmater.5b01366  1
2015 Coudert FX. Responsive metal-organic frameworks and framework materials: Under pressure, taking the heat, in the spotlight, with friends Chemistry of Materials. 27: 1905-1916. DOI: 10.1021/acs.chemmater.5b00046  1
2015 Coudert FX, Fuchs AH. Computational characterization and prediction of metal-organic framework properties Coordination Chemistry Reviews. DOI: 10.1016/j.ccr.2015.08.001  1
2014 Haigis V, Belkhodja Y, Coudert FX, Vuilleumier R, Boutin A. Challenges in first-principles NPT molecular dynamics of soft porous crystals: a case study on MIL-53(Ga). The Journal of Chemical Physics. 141: 064703. PMID 25134586 DOI: 10.1063/1.4891578  1
2014 Ortiz AU, Boutin A, Gagnon KJ, Clearfield A, Coudert FX. Remarkable pressure responses of metal-organic frameworks: proton transfer and linker coiling in zinc alkyl gates. Journal of the American Chemical Society. 136: 11540-5. PMID 25036225 DOI: 10.1021/ja5060059  1
2014 Cliffe MJ, Wan W, Zou X, Chater PA, Kleppe AK, Tucker MG, Wilhelm H, Funnell NP, Coudert FX, Goodwin AL. Correlated defect nanoregions in a metal-organic framework. Nature Communications. 5: 4176. PMID 24946837 DOI: 10.1038/ncomms5176  1
2014 Ortiz AU, Boutin A, Coudert FX. Prediction of flexibility of metal-organic frameworks CAU-13 and NOTT-300 by first principles molecular simulations. Chemical Communications (Cambridge, England). 50: 5867-70. PMID 24752232 DOI: 10.1039/c4cc00734d  1
2014 Fogarty AC, Coudert FX, Boutin A, Laage D. Reorientational dynamics of water confined in zeolites. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 521-9. PMID 24449592 DOI: 10.1002/cphc.201300928  1
2014 Ortiz AU, Freitas AP, Boutin A, Fuchs AH, Coudert FX. What makes zeolitic imidazolate frameworks hydrophobic or hydrophilic? the impact of geometry and functionalization on water adsorption Physical Chemistry Chemical Physics. 16: 9940-9949. PMID 24445495 DOI: 10.1039/c3cp54292k  1
2014 Coudert FX, Fuchs AH, Neimark AV. Comment on "Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules". Physical Chemistry Chemical Physics : Pccp. 16: 4394-5. PMID 24445346 DOI: 10.1039/c3cp54042a  1
2014 Mouhat F, Coudert FX. Necessary and sufficient elastic stability conditions in various crystal systems Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.224104  1
2014 Mouhat F, Coudert FX. Necessary and sufficient elastic stability conditions in various crystal systems Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.224104  0.72
2014 Doan QT, Lefèvre G, Hurisse O, Coudert FX. Adsorption in complex porous networks with geometrical and chemical heterogeneity Molecular Simulation. 40: 16-24. DOI: 10.1080/08927022.2013.844344  1
2014 Coudert FX, Boutin A, Fuchs AH. A thermodynamic description of the adsorption-induced structural transitions in flexible MIL-53 metal-organic framework Molecular Physics. 112: 1257-1261. DOI: 10.1080/00268976.2014.889325  1
2014 Bouëssel Du Bourg L, Ortiz AU, Boutin A, Coudert FX. Thermal and mechanical stability of zeolitic imidazolate frameworks polymorphs Apl Materials. 2. DOI: 10.1063/1.4904818  1
2014 Bouëssel Du Bourg L, Ortiz AU, Boutin A, Coudert FX. Thermal and mechanical stability of zeolitic imidazolate frameworks polymorphs Apl Materials. 2. DOI: 10.1063/1.4904818  1
2014 Haigis V, Belkhodja Y, Coudert FX, Vuilleumier R, Boutin A. Challenges in first-principles NPT molecular dynamics of soft porous crystals: A case study on MIL-53(Ga) Journal of Chemical Physics. 141. DOI: 10.1063/1.4891578  1
2014 Ortiz AU, Boutin A, Coudert FX. Prediction of flexibility of metal-organic frameworks CAU-13 and NOTT-300 by first principles molecular simulations Chemical Communications. 50: 5867-5870. DOI: 10.1039/c4cc00734d  1
2014 Coudert FX, Fuchs AH, Neimark AV. Comment on "volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules" Physical Chemistry Chemical Physics. 16: 4394-4395. DOI: 10.1039/c3cp54042a  1
2014 Coudert FX, Ortiz AU, Haigis V, Bousquet D, Fuchs AH, Ballandras A, Weber G, Bezverkhyy I, Geoffroy N, Bellat JP, Ortiz G, Chaplais G, Patarin J, Boutin A. Water adsorption in flexible gallium-based MIL-53 metal-organic framework Journal of Physical Chemistry C. 118: 5397-5405. DOI: 10.1021/jp412433a  1
2014 Coudert FX, Ortiz AU, Haigis V, Bousquet D, Fuchs AH, Ballandras A, Weber G, Bezverkhyy I, Geoffroy N, Bellat JP, Ortiz G, Chaplais G, Patarin J, Boutin A. Water adsorption in flexible gallium-based MIL-53 metal-organic framework Journal of Physical Chemistry C. 118: 5397-5405. DOI: 10.1021/jp412433a  1
2014 Ortiz AU, Boutin A, Gagnon KJ, Clearfield A, Coudert FX. Remarkable pressure responses of metal-organic frameworks: Proton transfer and linker coiling in zinc alkyl gates Journal of the American Chemical Society. 136: 11540-11545. DOI: 10.1021/ja5060059  1
2014 Fogarty AC, Coudert FX, Boutin A, Laage D. Reorientational dynamics of water confined in zeolites Chemphyschem. 15: 521-529. DOI: 10.1002/cphc.201300928  1
2013 Ortiz AU, Boutin A, Fuchs AH, Coudert FX. Investigating the Pressure-Induced Amorphization of Zeolitic Imidazolate Framework ZIF-8: Mechanical Instability Due to Shear Mode Softening. The Journal of Physical Chemistry Letters. 4: 1861-5. PMID 26283122 DOI: 10.1021/jz400880p  1
2013 Haigis V, Coudert FX, Vuilleumier R, Boutin A. Investigation of structure and dynamics of the hydrated metal-organic framework MIL-53(Cr) using first-principles molecular dynamics. Physical Chemistry Chemical Physics : Pccp. 15: 19049-56. PMID 24100540 DOI: 10.1039/c3cp53126k  1
2013 Peixinho J, Lefèvre G, Coudert FX, Hurisse O. Water evaporation in silica colloidal deposits. Journal of Colloid and Interface Science. 408: 206-11. PMID 23928488 DOI: 10.1016/j.jcis.2013.07.013  1
2013 Peixinho J, Lefèvre G, Coudert FX, Hurisse O. Water evaporation in silica colloidal deposits. Journal of Colloid and Interface Science. 408: 206-11. PMID 23928488 DOI: 10.1016/j.jcis.2013.07.013  1
2013 Bousquet D, Coudert FX, Fossati AG, Neimark AV, Fuchs AH, Boutin A. Adsorption induced transitions in soft porous crystals: an osmotic potential approach to multistability and intermediate structures. The Journal of Chemical Physics. 138: 174706. PMID 23656151 DOI: 10.1063/1.4802888  1
2013 Ortiz AU, Boutin A, Fuchs AH, Coudert FX. Metal-organic frameworks with wine-rack motif: what determines their flexibility and elastic properties? The Journal of Chemical Physics. 138: 174703. PMID 23656148 DOI: 10.1063/1.4802770  1
2013 Bousquet D, Coudert FX, Fossati AGJ, Neimark AV, Fuchs AH, Boutin A. Adsorption induced transitions in soft porous crystals: An osmotic potential approach to multistability and intermediate structures Journal of Chemical Physics. 138. DOI: 10.1063/1.4802888  1
2013 Bousquet D, Coudert FX, Fossati AGJ, Neimark AV, Fuchs AH, Boutin A. Adsorption induced transitions in soft porous crystals: An osmotic potential approach to multistability and intermediate structures Journal of Chemical Physics. 138. DOI: 10.1063/1.4802888  1
2013 Ortiz AU, Boutin A, Fuchs AH, Coudert FX. Metal-organic frameworks with wine-rack motif: What determines their flexibility and elastic properties? Journal of Chemical Physics. 138. DOI: 10.1063/1.4802770  1
2013 Fuchs AH, Coudert FX, Triguero C, Boutin A, Neimark AV. Adsorption-induced breathing transitions in metal-organic frameworks Poromechanics V - Proceedings of the 5th Biot Conference On Poromechanics. 626-631. DOI: 10.1061/9780784412992.074  1
2013 Haigis V, Coudert FX, Vuilleumier R, Boutin A. Investigation of structure and dynamics of the hydrated metal-organic framework MIL-53(Cr) using first-principles molecular dynamics Physical Chemistry Chemical Physics. 15: 19049-19056. DOI: 10.1039/c3cp53126k  1
2013 Haigis V, Coudert FX, Vuilleumier R, Boutin A. Investigation of structure and dynamics of the hydrated metal-organic framework MIL-53(Cr) using first-principles molecular dynamics Physical Chemistry Chemical Physics. 15: 19049-19056. DOI: 10.1039/c3cp53126k  1
2013 Coudert FX. Systematic investigation of the mechanical properties of pure silica zeolites: Stiffness, anisotropy, and negative linear compressibility Physical Chemistry Chemical Physics. 15: 16012-16018. DOI: 10.1039/c3cp51817e  1
2013 Coudert FX. Systematic investigation of the mechanical properties of pure silica zeolites: Stiffness, anisotropy, and negative linear compressibility Physical Chemistry Chemical Physics. 15: 16012-16018. DOI: 10.1039/c3cp51817e  1
2013 Coudert FX, Boutin A, Fuchs AH, Neimark AV. Adsorption deformation and structural transitions in metal-organic frameworks: From the unit cell to the crystal Journal of Physical Chemistry Letters. 4: 3198-3205. DOI: 10.1021/jz4013849  1
2013 Coudert FX, Boutin A, Fuchs AH, Neimark AV. Adsorption deformation and structural transitions in metal-organic frameworks: From the unit cell to the crystal Journal of Physical Chemistry Letters. 4: 3198-3205. DOI: 10.1021/jz4013849  1
2013 Ortiz AU, Boutin A, Fuchs AH, Coudert FX. Investigating the pressure-induced amorphization of zeolitic imidazolate framework ZIF-8: Mechanical instability due to shear mode softening Journal of Physical Chemistry Letters. 4: 1861-1865. DOI: 10.1021/jz400880p  1
2013 Ortiz AU, Boutin A, Fuchs AH, Coudert FX. Investigating the pressure-induced amorphization of zeolitic imidazolate framework ZIF-8: Mechanical instability due to shear mode softening Journal of Physical Chemistry Letters. 4: 1861-1865. DOI: 10.1021/jz400880p  1
2013 Boutin A, Bousquet D, Ortiz AU, Coudert FX, Fuchs AH, Ballandras A, Weber G, Bezverkhyy I, Bellat JP, Ortiz G, Chaplais G, Paillaud JL, Marichal C, Nouali H, Patarin J. Temperature-induced structural transitions in the gallium-based MIL-53 metal-organic framework Journal of Physical Chemistry C. 117: 8180-8188. DOI: 10.1021/jp312179e  1
2013 Coudert FX, Ortiz A, Toni MD, Boutin A, Fuchs AH. Hydrothermal and mechanical stability of metal-organic frameworks Mechanics and Physics of Creep, Shrinkage, and Durability of Conrete: a Tribute to Zdenek P. Bazant - Proceedings of the 9th Int. Conf. On Creep, Shrinkage, and Durability Mechanics, Concreep 2013. 98-101.  1
2012 Ortiz AU, Boutin A, Fuchs AH, Coudert FX. Anisotropic elastic properties of flexible metal-organic frameworks: how soft are soft porous crystals? Physical Review Letters. 109: 195502. PMID 23215398 DOI: 10.1103/PhysRevLett.109.195502  1
2012 Triguero C, Coudert FX, Boutin A, Fuchs AH, Neimark AV. Understanding adsorption-induced structural transitions in metal-organic frameworks: From the unit cell to the crystal Journal of Chemical Physics. 137. PMID 23163384 DOI: 10.1063/1.4765369  1
2012 Triguero C, Coudert FX, Boutin A, Fuchs AH, Neimark AV. Understanding adsorption-induced structural transitions in metal-organic frameworks: From the unit cell to the crystal Journal of Chemical Physics. 137. PMID 23163384 DOI: 10.1063/1.4765369  1
2012 Bousquet D, Coudert FX, Boutin A. Free energy landscapes for the thermodynamic understanding of adsorption-induced deformations and structural transitions in porous materials. The Journal of Chemical Physics. 137: 044118. PMID 22852608 DOI: 10.1063/1.4738776  1
2012 De Toni M, Jonchiere R, Pullumbi P, Coudert FX, Fuchs AH. How can a hydrophobic MOF be water-unstable? Insight into the hydration mechanism of IRMOFs. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 3497-503. PMID 22815036 DOI: 10.1002/cphc.201200455  1
2012 Ortiz AU, Springuel-Huet MA, Coudert FX, Fuchs AH, Boutin A. Predicting mixture coadsorption in soft porous crystals: experimental and theoretical Study of CO2/CH4 in MIL-53(Al). Langmuir : the Acs Journal of Surfaces and Colloids. 28: 494-8. PMID 22122795 DOI: 10.1021/la203925y  1
2012 Ortiz AU, Boutin A, Fuchs AH, Coudert FX. Anisotropic elastic properties of flexible metal-organic frameworks: How soft are soft porous crystals? Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.195502  1
2012 Ortiz AU, Boutin A, Fuchs AH, Coudert FX. Anisotropic elastic properties of flexible metal-organic frameworks: How soft are soft porous crystals? Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.195502  1
2012 Ortiz AU, Springuel-Huet MA, Coudert FX, Fuchs AH, Boutin A. Predicting mixture coadsorption in soft porous crystals: Experimental and theoretical study of CO 2/CH 4 in MIL-53(Al) Langmuir. 28: 494-498. DOI: 10.1021/la203925y  1
2012 De Toni M, Coudert FX, Paranthaman S, Pullumbi P, Boutin A, Fuchs AH. Molecular simulation of a Zn-triazamacrocyle metal-organic frameworks family with extraframework anions Journal of Physical Chemistry C. 116: 2952-2959. DOI: 10.1021/jp209895d  1
2012 De Toni M, Jonchiere R, Pullumbi P, Coudert FX, Fuchs AH. How can a hydrophobic mof be water-unstable? Insight into the hydration mechanism of IRMOFs Chemphyschem. 13: 3497-3503. DOI: 10.1002/cphc.201200455  1
2012 De Toni M, Jonchiere R, Pullumbi P, Coudert FX, Fuchs AH. How can a hydrophobic mof be water-unstable? Insight into the hydration mechanism of IRMOFs Chemphyschem. 13: 3497-3503. DOI: 10.1002/cphc.201200455  1
2011 Neimark AV, Coudert FX, Triguero C, Boutin A, Fuchs AH, Beurroies I, Denoyel R. Structural transitions in MIL-53 (Cr): view from outside and inside. Langmuir : the Acs Journal of Surfaces and Colloids. 27: 4734-41. PMID 21417285 DOI: 10.1021/la200094x  1
2011 Coudert FX, Boutin A, Jeffroy M, Mellot-Draznieks C, Fuchs AH. Thermodynamic methods and models to study flexible metal-organic frameworks. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 247-58. PMID 21275013 DOI: 10.1002/cphc.201000590  1
2011 Neimark AV, Coudert FX, Triguero C, Boutin A, Fuchs AH, Beurroies I, Denoyel R. Structural transitions in MIL-53 (Cr): View from outside and inside Langmuir. 27: 4734-4741. DOI: 10.1021/la200094x  1
2011 Neimark AV, Coudert FX, Triguero C, Boutin A, Fuchs AH, Beurroies I, Denoyel R. Structural transitions in MIL-53 (Cr): View from outside and inside Langmuir. 27: 4734-4741. DOI: 10.1021/la200094x  1
2011 Triguero C, Coudert FX, Boutin A, Fuchs AH, Neimark AV. Mechanism of breathing transitions in metal-organic frameworks Journal of Physical Chemistry Letters. 2: 2033-2037. DOI: 10.1021/jz2008769  1
2011 Triguero C, Coudert FX, Boutin A, Fuchs AH, Neimark AV. Mechanism of breathing transitions in metal-organic frameworks Journal of Physical Chemistry Letters. 2: 2033-2037. DOI: 10.1021/jz2008769  1
2011 Boutin A, Couck S, Coudert FX, Serra-Crespo P, Gascon J, Kapteijn F, Fuchs AH, Denayer JFM. Thermodynamic analysis of the breathing of amino-functionalized MIL-53(Al) upon CO2 adsorption Microporous and Mesoporous Materials. 140: 108-113. DOI: 10.1016/j.micromeso.2010.07.009  1
2011 Coudert FX, Boutin A, Jeffroy M, Mellot-Draznieks C, Fuchs AH. Thermodynamic methods and models to study flexible metal-organic frameworks Chemphyschem. 12: 247-258. DOI: 10.1002/cphc.201000590  1
2011 Coudert FX, Boutin A, Jeffroy M, Mellot-Draznieks C, Fuchs AH. Thermodynamic methods and models to study flexible metal-organic frameworks Chemphyschem. 12: 247-258. DOI: 10.1002/cphc.201000590  1
2011 Coudert FX. Thermodynamic Methods for Prediction of Gas Separation in Flexible Frameworks Metal-Organic Frameworks: Applications From Catalysis to Gas Storage. 49-68. DOI: 10.1002/9783527635856.ch3  1
2010 Neimark AV, Coudert FX, Boutin A, Fuchs AH. Stress-Based Model for the Breathing of Metal-Organic Frameworks. The Journal of Physical Chemistry Letters. 1: 445-9. PMID 26700628 DOI: 10.1021/jz9003087  1
2010 Paranthaman S, Coudert FX, Fuchs AH. Water adsorption in hydrophobic MOF channels. Physical Chemistry Chemical Physics : Pccp. 12: 8123-9. PMID 20526520 DOI: 10.1039/b925074c  1
2010 Coudert FX. The osmotic framework adsorbed solution theory: Predicting mixture coadsorption in flexible nanoporous materials Physical Chemistry Chemical Physics. 12: 10904-10913. DOI: 10.1039/c003434g  1
2010 Coudert FX. The osmotic framework adsorbed solution theory: Predicting mixture coadsorption in flexible nanoporous materials Physical Chemistry Chemical Physics. 12: 10904-10913. DOI: 10.1039/c003434g  1
2010 Paranthaman S, Coudert FX, Fuchs AH. Water adsorption in hydrophobic MOF channels Physical Chemistry Chemical Physics. 12: 8123-8129. DOI: 10.1039/b925074c  1
2010 Paranthaman S, Coudert FX, Fuchs AH. Water adsorption in hydrophobic MOF channels Physical Chemistry Chemical Physics. 12: 8123-8129. DOI: 10.1039/b925074c  1
2010 Neimark AV, Coudert FX, Boutin A, Fuchs AH. Stress-based model for the breathing of metal-organic frameworks Journal of Physical Chemistry Letters. 1: 445-449. DOI: 10.1021/jz9003087  1
2010 De Toni M, Pullumbi P, Coudert FX, Fuchs AH. Understanding the effect of confinement on the liquid-gas transition: A study of adsorption isotherms in a family of metal-organic frameworks Journal of Physical Chemistry C. 114: 21631-21637. DOI: 10.1021/jp108715q  1
2010 Boutin A, Coudert FX, Springuel-Huet MA, Neimark AV, Férey G, Fuchs AH. The behavior of flexible MIL-53(Al) upon CH 4 and CO 2 adsorption Journal of Physical Chemistry C. 114: 22237-22244. DOI: 10.1021/jp108710h  1
2010 Boutin A, Coudert FX, Springuel-Huet MA, Neimark AV, Férey G, Fuchs AH. The behavior of flexible MIL-53(Al) upon CH 4 and CO 2 adsorption Journal of Physical Chemistry C. 114: 22237-22244. DOI: 10.1021/jp108710h  1
2009 Boutin A, Springuel-Huet MA, Nossov A, Gédéon A, Loiseau T, Volkringer C, Férey G, Coudert FX, Fuchs AH. Breathing transitions in MIL-53(Al) metal-organic framework upon xenon adsorption. Angewandte Chemie (International Ed. in English). 48: 8314-7. PMID 19780084 DOI: 10.1002/anie.200903153  1
2009 Coudert FX, Mellot-Draznieks C, Fuchs AH, Boutin A. Prediction of breathing and gate-opening transitions upon binary mixture adsorption in metal-organic frameworks. Journal of the American Chemical Society. 131: 11329-31. PMID 19637918 DOI: 10.1021/ja904123f  1
2009 Coudert FX, Mellot-Draznieks C, Fuchs AH, Boutin A. Double structural transition in hybrid material MIL-53 upon hydrocarbon adsorption: the thermodynamics behind the scenes. Journal of the American Chemical Society. 131: 3442-3. PMID 19236091 DOI: 10.1021/ja8094153  1
2009 Coudert FX, Cailliez F, Vuilleumier R, Fuchs AH, Boutin A. Water nanodroplets confined in zeolite pores. Faraday Discussions. 141: 377-98; discussion 4. PMID 19227366  1
2009 Lewis DW, Ruiz-Salvador AR, Gómez A, Rodriguez-Albelo LM, Coudert FX, Slater B, Cheetham AK, Mellot-Draznieks C. Zeolitic imidazole frameworks: Structural and energetics trends compared with their zeolite analogues Crystengcomm. 11: 2272-2276. DOI: 10.1039/b912997a  1
2009 Lewis DW, Ruiz-Salvador AR, Gómez A, Rodriguez-Albelo LM, Coudert FX, Slater B, Cheetham AK, Mellot-Draznieks C. Zeolitic imidazole frameworks: Structural and energetics trends compared with their zeolite analogues Crystengcomm. 11: 2272-2276. DOI: 10.1039/b912997a  0.76
2009 Coudert FX, Mellot-Draznieks C, Fuchs AH, Boutin A. Prediction of breathing and gate-opening transitions upon binary mixture adsorption in metal-organic frameworks Journal of the American Chemical Society. 131: 11329-11331. DOI: 10.1021/ja904123f  1
2009 Coudert FX, Mellot-Draznieks C, Fuchs AH, Boutin A. Double structural transition in hybrid material MIL-53 upon hydrocarbon adsorption: The thermodynamics behind the scenes Journal of the American Chemical Society. 131: 3442-3443. DOI: 10.1021/ja8094153  1
2009 Coudert FX, Mellot-Draznieks C, Fuchs AH, Boutin A. Double structural transition in hybrid material MIL-53 upon hydrocarbon adsorption: The thermodynamics behind the scenes Journal of the American Chemical Society. 131: 3442-3443. DOI: 10.1021/ja8094153  1
2009 Boutin A, Springuel-Huet MA, Nossov A, Gédéon A, Loiseau T, Volkringer C, Férey G, Coudert FX, Fuchs AH. Breathing transitions in MIL-53(A1) metal-organic framework upon Xenon adsorption Angewandte Chemie - International Edition. 48: 8314-8317. DOI: 10.1002/anie.200903153  1
2009 Boutin A, Springuel-Huet MA, Nossov A, Gédéon A, Loiseau T, Volkringer C, Férey G, Coudert FX, Fuchs AH. Breathing transitions in MIL-53(A1) metal-organic framework upon Xenon adsorption Angewandte Chemie - International Edition. 48: 8314-8317. DOI: 10.1002/anie.200903153  1
2008 Coudert FX, Jeffroy M, Fuchs AH, Boutin A, Mellot-Draznieks C. Thermodynamics of guest-induced structural transitions in hybrid organic-inorganic frameworks. Journal of the American Chemical Society. 130: 14294-302. PMID 18821758 DOI: 10.1021/ja805129c  1
2008 Tay KA, Coudert FX, Boutin A. Mechanism and kinetics of hydrated electron diffusion. The Journal of Chemical Physics. 129: 054505. PMID 18698912 DOI: 10.1063/1.2964101  1
2008 Tay KA, Coudert FX, Boutin A. Mechanism and kinetics of hydrated electron diffusion Journal of Chemical Physics. 129. DOI: 10.1063/1.2964101  1
2008 Coudert FX, Cailliez F, Vuilleumier R, Fuchs AH, Boutin A. Water nanodroplets confined in zeolite pores Faraday Discussions. 141: 377-398. DOI: 10.1039/b804992k  1
2008 Coudert FX, Cailliez F, Vuilleumier R, Fuchs AH, Boutin A. Water nanodroplets confined in zeolite pores Faraday Discussions. 141: 377-398. DOI: 10.1039/b804992k  1
2008 Coudert FX, Jeffroy M, Fuchs AH, Boutin A, Mellot-Draznieks C. Thermodynamics of guest-induced structural transitions in hybrid organic-inorganic frameworks Journal of the American Chemical Society. 130: 14294-14302. DOI: 10.1021/ja805129c  1
2007 Lin M, Kumagai Y, Lampre I, Coudert FX, Muroya Y, Boutin A, Mostafavi M, Katsumura Y. Temperature effect on the absorption spectrum of the hydrated electron paired with a lithium cation in deuterated water. The Journal of Physical Chemistry. A. 111: 3548-53. PMID 17429955 DOI: 10.1021/jp070615j  1
2007 Lin M, Kumagai Y, Lampre I, Coudert FX, Muroya Y, Boutin A, Mostafavi M, Katsumura Y. Temperature effect on the absorption spectrum of the hydrated electron paired with a lithium cation in deuterated water Journal of Physical Chemistry A. 111: 3548-3553. DOI: 10.1021/jp070615j  1
2007 Lin M, Kumagai Y, Lampre I, Coudert FX, Muroya Y, Boutin A, Mostafavi M, Katsumura Y. Temperature effect on the absorption spectrum of the hydrated electron paired with a lithium cation in deuterated water Journal of Physical Chemistry A. 111: 3548-3553. DOI: 10.1021/jp070615j  1
2006 Coudert FX, Vuilleumier R, Boutin A. Dipole moment, hydrogen bonding and IR spectrum of confined water Chemphyschem. 7: 2464-2467. PMID 17111458 DOI: 10.1002/cphc.200600561  1
2006 Coudert FX, Archirel P, Boutin A. Molecular dynamics simulations of electron-alkali cation pairs in bulk water. The Journal of Physical Chemistry. B. 110: 607-15. PMID 16471573 DOI: 10.1021/jp0542975  1
2006 Coudert FX, Archirel P, Boutin A. Molecular dynamics simulations of electron - Alkali cation pairs in bulk water Journal of Physical Chemistry B. 110: 607-615. DOI: 10.1021/jp0542975  1
2006 Coudert FX, Archirel P, Boutin A. Molecular dynamics simulations of electron - Alkali cation pairs in bulk water Journal of Physical Chemistry B. 110: 607-615. DOI: 10.1021/jp0542975  1
2006 Coudert FX, Boutin A. Confinement effect on the hydrated electron behaviour Chemical Physics Letters. 428: 68-72. DOI: 10.1016/j.cplett.2006.07.023  1
2006 Coudert FX, Boutin A. Confinement effect on the hydrated electron behaviour Chemical Physics Letters. 428: 68-72. DOI: 10.1016/j.cplett.2006.07.023  1
2005 Boutin A, Spezia R, Coudert FX, Mostafavi M. Molecular dynamics simulations of the temperature and density dependence of the absorption spectra of hydrated electron and solvated silver atom in water Chemical Physics Letters. 409: 219-223. DOI: 10.1016/j.cplett.2005.05.012  1
2004 Spezia R, Nicolas C, Coudert FX, Archirel P, Vuilleumier R, Boutin A. Reactivity of an excess electron with monovalent cations in bulk water by mixed quantum classical molecular dynamics simulations Molecular Simulation. 30: 749-754. DOI: 10.1080/0892702042000270142  1
2004 Spezia R, Coudert FX, Boutin A. Theoretical study of neutral dipolar atom in water: Structure, spectroscopy and formation of an excitonic state Modern Physics Letters B. 18: 1327-1345.  1
2004 Beauvais C, Guerrault X, Coudert FX, Boutin A, Fuchs AH. Distribution of sodium cations in faujasite-type zeolite: A canonical parallel tempering simulation study Journal of Physical Chemistry B. 108: 399-404.  1
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