| Year |
Citation |
Score |
| 2023 |
de Izarra A, Coudert FX, Fuchs AH, Boutin A. Molecular Simulation of the Impact of Defects on Electrolyte Intrusion in Zeolites. Langmuir : the Acs Journal of Surfaces and Colloids. 39: 19056-19063. PMID 38088342 DOI: 10.1021/acs.langmuir.3c03306 |
0.741 |
|
| 2023 |
Izarra A, Coudert FX, Fuchs AH, Boutin A. Alchemical Osmostat for Monte Carlo Simulation: Sampling Aqueous Electrolyte Solution in Open Systems. The Journal of Physical Chemistry. B. PMID 36634303 DOI: 10.1021/acs.jpcb.2c07902 |
0.758 |
|
| 2021 |
Coudert FX, Boutin A, Fuchs AH. Open questions on water confined in nanoporous materials. Communications Chemistry. 4: 106. PMID 36697646 DOI: 10.1038/s42004-021-00544-9 |
0.746 |
|
| 2019 |
Fraux G, Boutin A, Fuchs AH, Coudert F. Structure, Dynamics, and Thermodynamics of Intruded Electrolytes in ZIF-8 The Journal of Physical Chemistry C. 123: 15589-15598. DOI: 10.1021/Acs.Jpcc.9B02718 |
0.769 |
|
| 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 |
0.683 |
|
| 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 |
0.64 |
|
| 2018 |
Fraux G, Boutin A, Fuchs AH, Coudert F. On the use of the IAST method for gas separation studies in porous materials with gate-opening behavior Adsorption. 24: 233-241. DOI: 10.1007/S10450-018-9942-5 |
0.769 |
|
| 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 |
0.773 |
|
| 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 |
0.801 |
|
| 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 |
0.797 |
|
| 2017 |
Tesson S, Louisfrema W, Salanne M, Boutin A, Rotenberg B, Marry V. Classical Polarizable Force Field To Study Dry Charged Clays and Zeolites The Journal of Physical Chemistry C. 121: 9833-9846. DOI: 10.1021/Acs.Jpcc.7B00270 |
0.78 |
|
| 2017 |
Jeffroy M, Nieto-Draghi C, Boutin A. New Molecular Simulation Method To Determine Both Aluminum and Cation Location in Cationic Zeolites Chemistry of Materials. 29: 513-523. DOI: 10.1021/Acs.Chemmater.6B03011 |
0.8 |
|
| 2016 |
Trousselet F, Archereau A, Boutin A, Coudert F. Heterometallic Metal–Organic Frameworks of MOF-5 and UiO-66 Families: Insight from Computational Chemistry The Journal of Physical Chemistry C. 120: 24885-24894. DOI: 10.1021/Acs.Jpcc.6B08594 |
0.373 |
|
| 2016 |
Louisfrema W, Paillaud J, Porcher F, Perrin E, Onfroy T, Massiani P, Boutin A, Rotenberg B. Cation Migration and Structural Deformations upon Dehydration of Nickel-Exchanged NaY Zeolite: A Combined Neutron Diffraction and Monte Carlo Study The Journal of Physical Chemistry C. 120: 18115-18125. DOI: 10.1021/Acs.Jpcc.6B05657 |
0.808 |
|
| 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 |
0.78 |
|
| 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 |
0.779 |
|
| 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 |
0.79 |
|
| 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 |
0.8 |
|
| 2015 |
Louisfrema W, Rotenberg B, Porcher F, Paillaud JL, Massiani P, Boutin A. Cation redistribution upon dehydration of Na58Y faujasite zeolite: a joint neutron diffraction and molecular simulation study Molecular Simulation. DOI: 10.1080/08927022.2015.1027889 |
0.827 |
|
| 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 |
0.774 |
|
| 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 |
0.663 |
|
| 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 |
0.629 |
|
| 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 |
0.679 |
|
| 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 |
0.728 |
|
| 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 |
0.796 |
|
| 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 |
0.8 |
|
| 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 |
0.673 |
|
| 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 |
0.825 |
|
| 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 |
0.773 |
|
| 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 |
0.8 |
|
| 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 |
0.619 |
|
| 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 |
0.801 |
|
| 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 |
0.822 |
|
| 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 |
0.777 |
|
| 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 |
0.622 |
|
| 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 |
0.797 |
|
| 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 |
0.696 |
|
| 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 |
0.783 |
|
| 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 |
0.793 |
|
| 2013 |
Jeffroy M, Nieto-Draghi C, Boutin A. Molecular simulation of zeolite flexibility Molecular Simulation. 40: 6-15. DOI: 10.1080/08927022.2013.840898 |
0.805 |
|
| 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 |
0.66 |
|
| 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 |
0.614 |
|
| 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 |
0.631 |
|
| 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 |
0.784 |
|
| 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 |
0.775 |
|
| 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 |
0.792 |
|
| 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 |
0.796 |
|
| 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 |
0.814 |
|
| 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 |
0.749 |
|
| 2012 |
Boutin A, Coasne B, Fuchs AH, Galarneau A, Di Renzo F. 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. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 9526-34. PMID 22650762 DOI: 10.1021/La301154E |
0.66 |
|
| 2012 |
Ferrando N, Lachet V, Boutin A. Transferable force field for carboxylate esters: application to fatty acid methylic ester phase equilibria prediction. The Journal of Physical Chemistry. B. 116: 3239-48. PMID 22369235 DOI: 10.1021/Jp212060U |
0.79 |
|
| 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 |
0.816 |
|
| 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 |
0.784 |
|
| 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 |
0.796 |
|
| 2011 |
Jeffroy M, Boutin A, Fuchs AH. Understanding the equilibrium ion exchange properties in faujasite zeolite from Monte Carlo simulations. The Journal of Physical Chemistry. B. 115: 15059-66. PMID 22050116 DOI: 10.1021/Jp209067N |
0.806 |
|
| 2011 |
Ferrando N, Lachet V, Pérez-Pellitero J, Mackie AD, Malfreyt P, Boutin A. A transferable force field to predict phase equilibria and surface tension of ethers and glycol ethers. The Journal of Physical Chemistry. B. 115: 10654-64. PMID 21800821 DOI: 10.1021/Jp203278T |
0.809 |
|
| 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 |
0.771 |
|
| 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 |
0.828 |
|
| 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 |
0.591 |
|
| 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 |
0.78 |
|
| 2011 |
Jeffroy M, Weber G, Hostachy S, Bellat J, Fuchs AH, Boutin A. Structural Changes in Nanoporous MFI Zeolites Induced by Tetrachloroethene Adsorption: A Joint Experimental and Simulation Study The Journal of Physical Chemistry C. 115: 3854-3865. DOI: 10.1021/Jp109447N |
0.831 |
|
| 2011 |
Jeffroy M, Borissenko E, Boutin A, Di Lella A, Porcher F, Souhassou M, Lecomte C, Fuchs AH. Evidence of a framework induced cation redistribution upon water adsorption in cobalt exchanged X faujasite zeolite: A joint experimental and simulation study Microporous and Mesoporous Materials. 138: 45-50. DOI: 10.1016/J.Micromeso.2010.09.031 |
0.819 |
|
| 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 |
0.766 |
|
| 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 |
0.75 |
|
| 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 |
0.771 |
|
| 2010 |
Ferrando N, Lachet V, Boutin A. Monte Carlo simulations of mixtures involving ketones and aldehydes by a direct bubble pressure calculation. The Journal of Physical Chemistry. B. 114: 8680-8. PMID 20540589 DOI: 10.1021/Jp1031724 |
0.81 |
|
| 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 |
0.598 |
|
| 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 |
0.779 |
|
| 2010 |
Ferrando N, Defiolle D, Lachet V, Boutin A. Ethanoled gasoline bubble pressure determination: Experimental and Monte Carlo modeling Fluid Phase Equilibria. 299: 132-140. DOI: 10.1016/J.Fluid.2010.09.020 |
0.786 |
|
| 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 |
0.769 |
|
| 2009 |
Tay KA, Boutin A. Hydrated electron diffusion: the importance of hydrogen-bond dynamics. The Journal of Physical Chemistry. B. 113: 11943-9. PMID 19678660 DOI: 10.1021/Jp810538F |
0.316 |
|
| 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 |
0.782 |
|
| 2009 |
Ferrando N, Lachet V, Teuler JM, Boutin A. Transferable force field for alcohols and polyalcohols. The Journal of Physical Chemistry. B. 113: 5985-95. PMID 19344171 DOI: 10.1021/Jp810915Z |
0.794 |
|
| 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 |
0.785 |
|
| 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 DOI: 10.1039/B804992K |
0.768 |
|
| 2009 |
Cailliez F, Boutin A, Demachy I, Fuchs AH. Thermodynamic study of water confinement in hydrophobic zeolites by Monte Carlo simulations Molecular Simulation. 35: 24-30. DOI: 10.1080/08927020802398900 |
0.609 |
|
| 2009 |
Abrioux C, Coasne B, Maurin G, Henn F, Jeffroy M, Boutin A. Cation Behavior in Faujasite Zeolites upon Water Adsorption: A Combination of Monte Carlo and Molecular Dynamics Simulations The Journal of Physical Chemistry C. 113: 10696-10705. DOI: 10.1021/Jp902274T |
0.825 |
|
| 2009 |
Bellat JP, Paulin C, Jeffroy M, Boutin A, Paillaud JL, Patarin J, Lella AD, Fuchs A. Unusual hysteresis loop in the adsorption-desorption of water in NaY zeolite at very low pressure Journal of Physical Chemistry C. 113: 8287-8295. DOI: 10.1021/Jp810209T |
0.807 |
|
| 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 |
0.669 |
|
| 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 |
0.678 |
|
| 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 |
0.646 |
|
| 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 |
0.825 |
|
| 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 |
0.655 |
|
| 2008 |
Cailliez F, Trzpit M, Soulard M, Demachy I, Boutin A, Patarin J, Fuchs AH. Thermodynamics of water intrusion in nanoporous hydrophobic solids. Physical Chemistry Chemical Physics : Pccp. 10: 4817-26. PMID 18688525 DOI: 10.1039/B807471B |
0.63 |
|
| 2008 |
Jeffroy M, Fuchs AH, Boutin A. Structural changes in nanoporous solids due to fluid adsorption: thermodynamic analysis and Monte Carlo simulations. Chemical Communications (Cambridge, England). 3275-7. PMID 18622442 DOI: 10.1039/B805117H |
0.829 |
|
| 2008 |
Nieto-Draghi C, Bocahut A, Creton B, Have P, Ghoufi A, Wender A, Boutin A, Rousseau B, Normand L. Optimisation of the dynamical behaviour of the anisotropic united atom model of branched alkanes: application to the molecular simulation of fuel gasoline Molecular Simulation. 34: 211-230. DOI: 10.1080/08927020801993370 |
0.508 |
|
| 2008 |
Tay KA, Coudert FX, Boutin A. Mechanism and kinetics of hydrated electron diffusion Journal of Chemical Physics. 129. DOI: 10.1063/1.2964101 |
0.595 |
|
| 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 |
0.629 |
|
| 2008 |
Cailliez F, Stirnemann G, Boutin A, Demachy I, Fuchs AH. Does Water Condense in Hydrophobic Cavities? A Molecular Simulation Study of Hydration in Heterogeneous Nanopores The Journal of Physical Chemistry C. 112: 10435-10445. DOI: 10.1021/Jp710746B |
0.635 |
|
| 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 |
0.781 |
|
| 2008 |
Cailliez F, Desbiens N, Boutin A, Demachy I, Trzpit M, Soulard M, Patarin J, Fuchs AH. Thermodynamic study of water intrusion in hydrophobic zeolites by Monte Carlo simulations Studies in Surface Science and Catalysis. 174: 683-688. DOI: 10.1016/S0167-2991(08)80290-X |
0.631 |
|
| 2008 |
Trzpit M, Soulard M, Patarin J, Desbiens N, Cailliez F, Boutin A, Demachy I, Fuchs AH. Influence of defects on the water intrusion in silicalite-1 zeolite: confrontation of experimental and molecular simulation results Studies in Surface Science and Catalysis. 174: 561-564. DOI: 10.1016/S0167-2991(08)80262-5 |
0.625 |
|
| 2008 |
Abrioux C, Coasne B, Maurin G, Henn F, Boutin A, Di Lella A, Nieto-Draghi C, Fuchs AH. A molecular simulation study of the distribution of cation in zeolites Adsorption. 14: 743-754. DOI: 10.1007/S10450-008-9123-Z |
0.639 |
|
| 2007 |
Trzpit M, Soulard M, Patarin J, Desbiens N, Cailliez F, Boutin A, Demachy I, Fuchs AH. The effect of local defects on water adsorption in silicalite-1 zeolite: a joint experimental and molecular simulation study. Langmuir : the Acs Journal of Surfaces and Colloids. 23: 10131-9. PMID 17715950 DOI: 10.1021/la7011205 |
0.307 |
|
| 2007 |
Ibergay C, Ghoufi A, Goujon F, Ungerer P, Boutin A, Rousseau B, Malfreyt P. Molecular simulations of the n -alkane liquid-vapor interface: interfacial properties and their long range corrections. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 75: 051602. PMID 17677073 DOI: 10.1103/Physreve.75.051602 |
0.72 |
|
| 2007 |
Ghoufi A, Archirel P, Morel JP, Morel-Desrosiers N, Boutin A, Malfreyt P. Methodology for the calculation of the potential of mean force for a cation-pi complex in water. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 1648-56. PMID 17583904 DOI: 10.1002/Cphc.200700197 |
0.329 |
|
| 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 |
0.662 |
|
| 2007 |
Ungerer P, Nieto-Draghi C, Lachet V, Wender A, Lella Ad, Boutin A, Rousseau B, Fuchs AH. Molecular simulation applied to fluid properties in the oil and gas industry Molecular Simulation. 33: 287-304. DOI: 10.1080/08927020701245509 |
0.828 |
|
| 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 |
0.608 |
|
| 2006 |
Di Lella A, Desbiens N, Boutin A, Demachy I, Ungerer P, Bellat JP, Fuchs AH. Molecular simulation studies of water physisorption in zeolites. Physical Chemistry Chemical Physics : Pccp. 8: 5396-406. PMID 17119646 DOI: 10.1039/B610621H |
0.783 |
|
| 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 |
0.707 |
|
| 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 |
0.683 |
|
| 2006 |
Fuchs AH, Boutin A, Teuler J, Di Lella A, Wender A, Tavitian B, Ungerer P. Development and Application of Molecular Simulation Methods for the Screening of Industrial Zeolite Adsorbents Oil & Gas Science and Technology - Revue De L'Ifp. 61: 571-578. DOI: 10.2516/Ogst:2006031A |
0.791 |
|
| 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 |
0.648 |
|
| 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 |
0.661 |
|
| 2006 |
Wender A, Barreau A, Lefebvre C, Di Lella A, Boutin A, Ungerer P, Fuchs AH. Adsorption of n-Alkanes in Faujasite Zeolites: Molecular Simulation Study and Experimental Measurements Adsorption Science & Technology. 24: 713-735. DOI: 10.1007/S10450-007-9036-2 |
0.775 |
|
| 2005 |
Desbiens N, Boutin A, Demachy I. Water condensation in hydrophobic silicalite-1 zeolite: a molecular simulation study. The Journal of Physical Chemistry. B. 109: 24071-6. PMID 16375399 DOI: 10.1021/jp054168o |
0.347 |
|
| 2005 |
Beauvais C, Boutin A, Fuchs AH. Adsorption of water in zeolite sodium-faujasite Comptes Rendus Chimie. 8: 485-490. DOI: 10.1016/J.Crci.2004.11.011 |
0.665 |
|
| 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 |
0.757 |
|
| 2005 |
Pascual P, Kirsch H, Boutin A, Paillaud JL, Soulard M, Tavitian B, Faye D, Fuchs AH. Adsorption of various hydrocarbons in siliceous zeolites: A molecular simulation study Adsorption. 11: 379-382. DOI: 10.1007/S10450-005-5954-Z |
0.676 |
|
| 2005 |
Beauvais C, Boutin A, Fuchs AH. Adsorption of Water and Aromatics in Faujasite Zeolites: A Molecular Simulation Study Adsorption. 11: 279-282. DOI: 10.1007/S10450-005-5937-0 |
0.683 |
|
| 2004 |
Goujon F, Malfreyt P, Simon JM, Boutin A, Rousseau B, Fuchs AH. Monte Carlo versus molecular dynamics simulations in heterogeneous systems: an application to the n-pentane liquid-vapor interface. The Journal of Chemical Physics. 121: 12559-71. PMID 15606277 DOI: 10.1063/1.1819868 |
0.789 |
|
| 2004 |
Beauvais C, Boutin A, Fuchs AH. A numerical evidence for nonframework cation redistribution upon water adsorption in faujasite zeolite. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 5: 1791-3. PMID 15580943 DOI: 10.1002/Cphc.200400195 |
0.644 |
|
| 2004 |
Spezia R, Nicolas C, Archirel P, Boutin A. Molecular dynamics simulations of the Ag+ or Na+ cation with an excess electron in bulk water. The Journal of Chemical Physics. 120: 5261-8. PMID 15267397 DOI: 10.1063/1.1648631 |
0.752 |
|
| 2004 |
Spezia R, Coudert F, 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. DOI: 10.1142/S0217984904007827 |
0.627 |
|
| 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 |
0.799 |
|
| 2004 |
Pascual P, Boutin A, Ungerer P, Tavitian B, Fuchs AH. Adsorption of Linear Alkanes in Zeolite Ferrierite from Molecular Simulations Molecular Simulation. 30: 593-599. DOI: 10.1080/08927020410001717281 |
0.78 |
|
| 2004 |
Pascual P, Boutin A. Adsorption of hydrocarbons in zeolites from molecular simulations. The alkane–ferrierite system revisited Phys. Chem. Chem. Phys.. 6: 2015-2017. DOI: 10.1039/B403424D |
0.454 |
|
| 2004 |
Lagache MH, Ridard J, Ungerer P, Boutin A. Force Field Optimization for Organic Mercury Compounds The Journal of Physical Chemistry B. 108: 8419-8426. DOI: 10.1021/Jp049676X |
0.645 |
|
| 2004 |
Pascual P, Ungerer P, Tavitian B, Boutin A. Development of a Transferable Guest−Host Force Field for Adsorption of Hydrocarbons in Zeolites. II. Prediction of Alkenes Adsorption and Alkane/Alkene Selectivity in Silicalite The Journal of Physical Chemistry B. 108: 393-398. DOI: 10.1021/Jp0358634 |
0.709 |
|
| 2004 |
Lagache M, Ungerer P, Boutin A. Prediction of thermodynamic derivative properties of natural condensate gases at high pressure by Monte Carlo simulation Fluid Phase Equilibria. 220: 211-223. DOI: 10.1016/J.Fluid.2004.03.015 |
0.416 |
|
| 2003 |
Spezia R, Nicolas C, Boutin A, Vuilleumier R. Molecular dynamics simulations of a silver atom in water: evidence for a dipolar excitonic state. Physical Review Letters. 91: 208304. PMID 14683408 DOI: 10.1103/Physrevlett.91.208304 |
0.743 |
|
| 2003 |
Nicolas C, Boutin A, Lévy B, Borgis D. Molecular simulation of a hydrated electron at different thermodynamic state points The Journal of Chemical Physics. 118: 9689-9696. DOI: 10.1063/1.1570407 |
0.659 |
|
| 2003 |
Bourasseau E, Haboudou M, Boutin A, Fuchs AH, Ungerer P. New optimization method for intermolecular potentials: Optimization of a new anisotropic united atoms potential for olefins: Prediction of equilibrium properties The Journal of Chemical Physics. 118: 3020-3034. DOI: 10.1063/1.1537245 |
0.725 |
|
| 2003 |
Kranias S, Pattou D, Lévy B, Boutin A. An optimized potential for phase equilibria calculation for ketone and aldehyde molecular fluids Phys. Chem. Chem. Phys.. 5: 4175-4179. DOI: 10.1039/B304531E |
0.351 |
|
| 2003 |
Pascual P, Ungerer P, Tavitian B, Pernot P, Boutin A. Development of a transferable guest-host force field for adsorption of hydrocarbons in zeolites: I. Reinvestigation of alkane adsorption in silicalite by grand canonical Monte Carlo simulation Physical Chemistry Chemical Physics. 5: 3684-3693. DOI: 10.1039/B304209J |
0.703 |
|
| 2003 |
Hadj-Kali M, Gerbaud V, Joulia X, Boutin A, Ungerer P, Mijoule C, Roques J. Application of molecular simulation in the gibbs ensemble to predict liquid-vapor equilibrium curve of acetonitrile Computer-Aided Chemical Engineering. 14: 653-658. DOI: 10.1016/S1570-7946(03)80190-6 |
0.661 |
|
| 2002 |
Bourasseau E, Ungerer P, Boutin A, Fuchs AH. Monte Carlo simulation of branched alkanes and long chain n -alkanes with anisotropic united atoms intermolecular potential Molecular Simulation. 28: 317-336. DOI: 10.1080/08927020290018723 |
0.729 |
|
| 2002 |
Buttefey S, Boutin A, Fuchs AH. Cation distribution in faujasite-type zeolites: A test of semi-empirical force fields for Na cations Molecular Simulation. 28: 1049-1062. DOI: 10.1080/0892702021000011070 |
0.796 |
|
| 2002 |
Goujon F, Malfreyt P, Boutin A, Fuchs AH. Direct Monte Carlo simulations of the equilibrium properties ofn-pentane liquid–vapor interface The Journal of Chemical Physics. 116: 8106-8117. DOI: 10.1063/1.1468216 |
0.619 |
|
| 2002 |
Bourasseau E, Ungerer P, Boutin A. Prediction of Equilibrium Properties of Cyclic Alkanes by Monte Carlo SimulationNew Anisotropic United Atoms Intermolecular PotentialNew Transfer Bias Method The Journal of Physical Chemistry B. 106: 5483-5491. DOI: 10.1021/Jp014190R |
0.662 |
|
| 2001 |
Mellot-Draznieks C, Buttefey S, Boutin A, Fuchs AH. Placement of cations in NaX faujasite-type zeolite using (N,V,T) Monte Carlo simulations. Chemical Communications (Cambridge, England). 2200-1. PMID 12240110 DOI: 10.1039/B103808G |
0.791 |
|
| 2001 |
Boutin A, Buttefey S, Fuchs AH, Cheetham AK. Molecular Simulation of Adsorption of Guest Molecules in Zeolitic Materials: A Comparative Study of Intermolecular Potentials Molecular Simulation. 27: 371-385. DOI: 10.1080/08927020108031359 |
0.814 |
|
| 2001 |
Goujon F, Malfreyt P, Boutin A, Fuchs AH. Vapour-Liquid Phase Equilibria of n-alkanes by Direct Monte Carlo Simulations Molecular Simulation. 27: 99-114. DOI: 10.1080/08927020108023126 |
0.621 |
|
| 2001 |
UNGERER P, BOUTIN A, FUCHS AH. Direct calculation of bubble points for alkane mixtures by molecular simulation Molecular Physics. 99: 1423-1434. DOI: 10.1080/00268970110060794 |
0.757 |
|
| 2001 |
Lagache M, Ungerer P, Boutin A, Fuchs AH. Prediction of thermodynamic derivative properties of fluids by Monte Carlo simulation Physical Chemistry Chemical Physics. 3: 4333-4339. DOI: 10.1039/B104150A |
0.756 |
|
| 2001 |
Lachet V, Buttefey S, Boutin A, Fuchs AH. Molecular simulation of adsorption equilibria of xylene isomer mixtures in faujasite zeolites. A study of the cation exchange effect on adsorption selectivity Physical Chemistry Chemical Physics. 3: 80-86. DOI: 10.1039/B007281H |
0.67 |
|
| 2001 |
Buttefey S, Boutin A, Mellot-Draznieks C, Fuchs AH. A Simple Model for Predicting the Na+Distribution in Anhydrous NaY and NaX Zeolites The Journal of Physical Chemistry B. 105: 9569-9575. DOI: 10.1021/Jp0105903 |
0.793 |
|
| 2001 |
Buttefey S, Boutin A, Fuchs AH. 16-O-03-Adsorption of xylene isomers and water in faujasites. A molecular simulation study Studies in Surface Science and Catalysis. 135: 155. DOI: 10.1016/S0167-2991(01)81261-1 |
0.678 |
|
| 2000 |
Ungerer P, Beauvais C, Delhommelle J, Boutin A, Rousseau B, Fuchs AH. Optimization of the anisotropic united atoms intermolecular potential for n-alkanes Journal of Chemical Physics. 112: 5499-5510. DOI: 10.1063/1.481116 |
0.798 |
|
| 1999 |
Delhommelle J, Boutin A, Fuchs AH. Molecular simulation of vapour-liquid coexistence curves for hydrogen sulfide-alkane and carbon dioxide-alkane mixtures Molecular Simulation. 22: 351-368. DOI: 10.1080/08927029908022105 |
0.744 |
|
| 1999 |
Delhommelle J, Boutin A, Tavitian B, Mackie AD, Fuchs AH. Vapour-liquid coexistence curves of the united-atom and anisotropic united-atom force fields for alkane mixtures Molecular Physics. 96: 1517-1524. DOI: 10.1080/00268979909483094 |
0.699 |
|
| 1999 |
Delhommelle J, Granucci G, Brenner V, Millié P, Boutin A, Fuchs AH. A new method for deriving atomic charges and dipoles for n-alkanes: Investigation of transferability and geometry dependence Molecular Physics. 97: 1117-1128. DOI: 10.1080/00268979909482912 |
0.696 |
|
| 1999 |
NEUBAUER B, BOUTIN A, TAVITIAN B, FUCHS AH. Gibbs ensemble simulations of vapour—liquid phase equilibria of cyclic alkanes Molecular Physics. 97: 769-776. DOI: 10.1080/00268979909482877 |
0.561 |
|
| 1999 |
Ungerer P, Boutin A, Fuchs AH. Direct calculation of bubble points by Monte Carlo simulation Molecular Physics. 97: 523-539. DOI: 10.1080/00268979909482852 |
0.741 |
|
| 1999 |
Maillet J, Boutin A, Fuchs AH. From molecular clusters to bulk matter. II. Crossover from icosahedral to crystalline structures in CO2 clusters The Journal of Chemical Physics. 111: 2095-2102. DOI: 10.1063/1.479478 |
0.774 |
|
| 1999 |
Lachet V, Boutin A, Tavitian B, Fuchs AH. Molecular Simulation ofp-Xylene andm-Xylene Adsorption in Y Zeolites. Single Components and Binary Mixtures Study Langmuir. 15: 8678-8685. DOI: 10.1021/La990305V |
0.791 |
|
| 1999 |
Neubauer B, Tavitian B, Boutin A, Ungerer P. Molecular simulations on volumetric properties of natural gas Fluid Phase Equilibria. 161: 45-62. DOI: 10.1016/S0378-3812(99)00050-3 |
0.664 |
|
| 1999 |
Neubauer B, Delhommelle J, Boutin A, Tavitian B, Fuchs AH. Monte Carlo simulations of squalane in the Gibbs ensemble Fluid Phase Equilibria. 155: 167-176. DOI: 10.1016/S0378-3812(98)00465-8 |
0.731 |
|
| 1998 |
Fuchs A, Boutin A, Rousseau B. Molecular Simulations As a Tool for Predicting Phase Equilibria and Transport Properties of Fluids Revue De L'Institut FrançAis Du PéTrole. 53: 329-333. DOI: 10.2516/Ogst:1998028 |
0.672 |
|
| 1998 |
Maillet J, Boutin A, Buttefey S, Calvo F, Fuchs AH. From molecular clusters to bulk matter. I. Structure and thermodynamics of small CO2, N2, and SF6 clusters The Journal of Chemical Physics. 109: 329-337. DOI: 10.1063/1.476509 |
0.783 |
|
| 1998 |
Lachet V, Boutin A, Tavitian B, Fuchs AH. Computational Study ofp-Xylene/m-Xylene Mixtures Adsorbed in NaY Zeolite The Journal of Physical Chemistry B. 102: 9224-9233. DOI: 10.1021/Jp980946J |
0.781 |
|
| 1997 |
Maillet J, Boutin A, Fuchs AH. The Melting Phase Transition in Small Carbon Dioxide Clusters Molecular Simulation. 19: 285-299. DOI: 10.1080/08927029708024158 |
0.775 |
|
| 1997 |
Mackie AD, Tavitian B, Boutin A, Fuchs AH. Vapour-Liquid Phase Equilibria Predictions of Methane–Alkane Mixtures by Monte Carlo Simulation Molecular Simulation. 19: 1-15. DOI: 10.1080/08927029708024135 |
0.622 |
|
| 1997 |
Lachet V, Boutin A, Tavitian B, Fuchs AH. Grand canonical Monte Carlo simulations of adsorption of mixtures of xylene molecules in faujasite zeolites Faraday Discussions. 106: 307-323. DOI: 10.1039/A701490B |
0.789 |
|
| 1996 |
Maillet J, Boutin A, Fuchs AH. Numerical evidence of an embryonic orientational phase transition in small nitrogen clusters. Physical Review Letters. 76: 4336-4339. PMID 10061264 DOI: 10.1103/Physrevlett.76.4336 |
0.768 |
|
| 1996 |
Douguet D, Pellenq RJ, Boutin A, Fuchs AH, Nicholson D. The Adsorption of Argon and Nitrogen in Silicalite-1 Zeolite: A Grand Canonical Monte-Carlo study Molecular Simulation. 17: 255-288. DOI: 10.1080/08927029608024112 |
0.683 |
|
| 1996 |
Nicholson D, Boutin A, Pellenq RJ-. Intermolecular Potential Functions For Adsorption In Zeolites State Of The Art And Effective Models Molecular Simulation. 17: 217-238. DOI: 10.1080/08927029608024110 |
0.369 |
|
| 1996 |
Torchet G, de Feraudy M, Boutin A, Fuchs AH. Structural transformation in (CO2)N clusters, N<100 The Journal of Chemical Physics. 105: 3671-3678. DOI: 10.1063/1.472237 |
0.598 |
|
| 1996 |
Lachet V, Boutin A, Pellenq RJ, Nicholson D, Fuchs AH. Molecular Simulation Study of the Structural Rearrangement of Methane Adsorbed in Aluminophosphate AlPO4-5 The Journal of Physical Chemistry. 100: 9006-9013. DOI: 10.1021/Jp953393A |
0.804 |
|
| 1994 |
Boutin A, Simon J, Fuchs A. The phase transitions of sulphur hexafluoride by molecular dynamics simulation Molecular Physics. 81: 1165-1176. DOI: 10.1080/00268979400100781 |
0.59 |
|
| 1994 |
Boutin A, Pellenq RJ, Nicholson D. Molecular simulation of the stepped adsorption isotherm of methane in AlPO4-5 Chemical Physics Letters. 219: 484-490. DOI: 10.1016/0009-2614(94)00123-5 |
0.34 |
|
| 1994 |
Boutin A, Rousseau B, Fuchs AH. The temperature-size phase diagram of large SF6 clusters by computer simulation Chemical Physics Letters. 218: 122-127. DOI: 10.1016/0009-2614(93)E1450-V |
0.692 |
|
| 1993 |
Boutin A, Maillet J, Fuchs AH. Structure and dynamics of simulated (SF6)N clusters in the size range N=7–55 The Journal of Chemical Physics. 99: 9944-9953. DOI: 10.1063/1.465393 |
0.779 |
|
| 1993 |
Boutin A, Fuchs AH. Molecular‐dynamics investigation of surface‐induced melting in sulfur hexafluoride Journal of Chemical Physics. 98: 3290-3299. DOI: 10.1063/1.464100 |
0.601 |
|
| 1993 |
Beniere FM, Boutin A, Simon JM, Fuchs AH, de Feraudy MF, Torchet G. Molecular dynamics study of the phase transitions in sulfur hexafluoride clusters of various size The Journal of Physical Chemistry. 97: 10472-10477. DOI: 10.1021/J100142A034 |
0.713 |
|
| 1993 |
Boutin A, Rousseau B, Fuchs AH. Surface melting of a molecular crystal by computer simulations Surface Science. 287: 866-870. DOI: 10.1016/0167-2584(93)90553-U |
0.682 |
|
| 1993 |
Bénière FM, Boutin A, Trache M, Fuchs AH. Structural properties of (SF6)13 and (SF655 clusters by molecular dynamics simulation Chemical Physics Letters. 215: 301-305. DOI: 10.1016/0009-2614(93)85718-4 |
0.624 |
|
| 1992 |
Boutin A, Rousseau B, Fuchs AH. Is There a Vacancy-Induced Premelting in a Molecular Crystal? Europhysics Letters (Epl). 18: 245-250. DOI: 10.1209/0295-5075/18/3/010 |
0.668 |
|
| 1992 |
Rousseau B, Boutin A, Fuchs A, Craven C. Melting of sulfur hexafluoride clusters by molecular dynamics simulation Molecular Physics. 76: 1079-1091. DOI: 10.1080/00268979200101891 |
0.692 |
|
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