List of publications

International peer-reviewed journals

This list can be downloaded in RIS or BibTeX formats, to import in your bibliographic software.

1. “Distribution of Sodium Cations in Faujasite-Type Zeolite: A Canonical Parallel Tempering Simulation Study”, C. Beauvais, X. Guerrault, F.-X. Coudert, A. Boutin and A. H. Fuchs, J. Phys. Chem. B, 2004, 108 (1), 399–404.
2. “Reactivity of an Excess Electron with Monovalent Cations in Bulk Water by Mixed Quantum Classical Molecular Dynamics Simulations”, R. Spezia, C. Nicolas, F.-X. Coudert, P. Archirel, R. Vuilleumier and A. Boutin, Mol. Simul., 2004, 30 (11-12), 749–754.
3. “Theoretical Study of Neutral Dipolar Atom in Water: Structure, Spectroscopy and Formation of an Excitonic State”, R. Spezia, F.-X. Coudert and A. Boutin, Mod. Phys. Lett. B, 2004, 18 (26/27), 1327–1345.
4. “Molecular dynamics simulations of the temperature and density dependence of the absorption spectra of hydrated electron and solvated silver atom in water”, A. Boutin, R. Spezia, F.-X. Coudert and M. Mostafavi, Chem. Phys. Lett., 2005, 409 (4-6), 219–223.
5. “Molecular Dynamics Simulations of Electron-Alkali Cation Pairs in Bulk Water”, F.-X. Coudert, P. Archirel and A. Boutin, J. Phys. Chem. B, 2005, 110 (1), 607–615.
6. “Confinement effect on the hydrated electron behaviour”, F.-X. Coudert and A. Boutin, Chem. Phys. Lett., 2006, 428 (1-3), 68–72.
7. “Dipole Moment, Hydrogen Bonding and IR Spectrum of Confined Water”, F.-X. Coudert, R. Vuilleumier and A. Boutin, Chem. Phys. Chem., 2006, 7 (12), 2464–2467.
8. “Temperature Effect on the Absorption Spectrum of the Hydrated Electron Paired with a Lithium Cation in Deuterated Water”, M. Lin, Y. Kumagai, I. Lampre, F.-X. Coudert, Y. Muroya, A. Boutin, M. Mostafavi and Y. Katsumura, J. Phys. Chem. A, 2007, 111 (18), 3548–3553.
9. “Mechanism and kinetics of hydrated electron diffusion”, K. A. Tay, F.-X. Coudert and A. Boutin, J. Chem. Phys., 2008, 129, 054505.
10. “Thermodynamics of Guest-Induced Structural Transitions in Hybrid Organic–Inorganic Frameworks”, F.-X. Coudert, M. Jeffroy, A. H. Fuchs, A. Boutin and C. Mellot-Draznieks, J. Am. Chem. Soc., 2008, 130 (43), 14294–14302.
11. “Water nanodroplets confined in zeolite pores”, F.-X. Coudert, F. Cailliez, R. Vuilleumier, A. H. Fuchs and A. Boutin, Faraday Discuss., 2009, 141, 377–398.
12. “Double Structural Transition in Hybrid Material MIL-53 upon Hydrocarbon Adsorption: The Thermodynamics Behind the Scenes”, F.-X. Coudert, C. Mellot-Draznieks, A. H. Fuchs and A. Boutin, J. Am. Chem. Soc., 2009, 131 (10), 3442–3443.
13. “Zeolitic imidazole frameworks; structural and energetics trends compared with their zeolite analogues”, D. W. Lewis, A. R. Ruiz-Salvador, A. Gomez, L. M. Rodriguez-Albelo, F.-X. Coudert, B. Slater, A. K. Cheetham and C. Mellot-Draznieks, CrystEngComm, 2009, 11 (10), 2272–2276.
14. “Prediction of Breathing and Gate-Opening Transitions Upon Binary Mixture Adsorption in Metal-Organic Frameworks”, F.-X. Coudert, C. Mellot-Draznieks, A. H. Fuchs and A. Boutin, J. Am. Chem. Soc., 2009, 131 (32), 11329–11331.
15. “Breathing Transitions in MIL-53(Al) Metal–Organic Framework Upon Xenon Adsorption”, A. Boutin, M.-A. Springuel-Huet, A. Nossov, A. Gédéon, T. Loiseau, T. Volkringer, G. Férey, F.-X. Coudert and A. H. Fuchs, Angew. Chem. Int. Ed., 2009, 48 (44), 8314–8317.
16. “Stress-Based Model for the Breathing of Metal–Organic Frameworks”, A. V. Neimark, F.-X. Coudert, A. Boutin and A. H. Fuchs, J. Phys. Chem. Lett., 2010, 1, 445–449.
17. “Water adsorption in hydrophobic MOF channels”, S. Paranthaman, F.-X. Coudert and A. H. Fuchs, Phys. Chem. Chem. Phys., 2010, 12, 8123–8129.
18. “The osmotic framework adsorbed solution theory: predicting mixture coadsorption in flexible nanoporous materials”, F.-X. Coudert, Phys. Chem. Chem. Phys., 2010, 12, 10904–10913.
19. “Understanding the Effect of Confinement on the Liquid–Gas Transition: A Study of Adsorption Isotherms in a Family of Metal–Organic Frameworks”, M. De Toni, P. Pullumbi, F.-X. Coudert and A. H. Fuchs, J. Phys. Chem. C, 2010, 114, 21631–21637.
20. “The Behavior of Flexible MIL-53(Al) upon CH4 and CO2 Adsorption”, A. Boutin, F.-X. Coudert, M.-A. Springuel-Huet, A. V. Neimark, G. Férey and A. H. Fuchs, J. Phys. Chem. C, 2010, 114, 22237–22244.
21. “Thermodynamic Analysis of the Breathing of Amino-functionalized MIL-53(Al) upon CO2 Adsorption”, A. Boutin, S. Couck, F.-X. Coudert, P. Serra-Crespo, J. Gascon, F. Kapteijn, A. H. Fuchs and J.F.M. Denayer, Micro. Meso. Mater., 2011, 140, 108–113.
22. “Thermodynamic Methods and Models to Study Flexible Metal-Organic Frameworks”, F.-X. Coudert, A. Boutin, M. Jeffroy, C. Mellot-Draznieks and A. H. Fuchs, Chem. Phys. Chem., 2011, 12, 247–258.
23. “Structural Transitions in MIL-53 (Cr): View from Outside and Inside”, A. V. Neimark, F.-X. Coudert, C. Triguero, A. Boutin, A. H. Fuchs, I. Beurroies and R. Denoyel, Langmuir, 2011, 27, 4734–4741.
24. “Mechanism of Breathing Transitions in Metal-Organic Frameworks”, C. Triguero, F.-X. Coudert, A. Boutin, A. H. Fuchs and A. V. Neimark, J. Phys. Chem. Lett., 2011, 2, 2033–2037.
25. “Predicting Mixture Coadsorption in Soft Porous Crystals: Experimental and Theoretical Study of CO2/CH4 in MIL-53(Al)”, A. U. Ortiz, M.-A. Springuel-Huet, F.-X. Coudert, A. H. Fuchs and A. Boutin, Langmuir, 2012, 28, 494–498.
26. “Molecular Simulation of a Zn–Triazamacrocyle Metal–Organic Frameworks Family with Extraframework Anions”, M. De Toni, F.-X. Coudert, S. Paranthaman, P. Pullumbi, A. Boutin and A. H. Fuchs, J. Phys. Chem. C, 2012, .