| 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 |
0.553 |
|
| 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 |
0.688 |
|
| 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 |
0.663 |
|
| 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 |
0.708 |
|
| 2018 |
Chaplais G, Fraux G, Paillaud J, Marichal C, Nouali H, Fuchs AH, Coudert F, Patarin J. Impacts of the Imidazolate Linker Substitution (CH3, Cl, or Br) on the Structural and Adsorptive Properties of ZIF-8 The Journal of Physical Chemistry C. 122: 26945-26955. DOI: 10.1021/Acs.Jpcc.8B08706 |
0.577 |
|
| 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 |
0.697 |
|
| 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 |
0.71 |
|
| 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 |
0.529 |
|
| 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 |
0.598 |
|
| 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 |
0.712 |
|
| 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 |
0.708 |
|
| 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 |
0.717 |
|
| 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 |
0.595 |
|
| 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 |
0.792 |
|
| 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 |
0.598 |
|
| 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 |
0.7 |
|
| 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 |
0.789 |
|
| 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 |
0.768 |
|
| 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 |
0.722 |
|
| 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 |
0.757 |
|
| 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 |
0.717 |
|
| 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 |
0.765 |
|
| 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 |
0.764 |
|
| 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 |
0.761 |
|
| 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 |
0.569 |
|
| 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 |
0.625 |
|
| 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 |
0.786 |
|
| 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 |
0.732 |
|
| 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 |
0.465 |
|
| 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 |
0.799 |
|
| 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 |
0.707 |
|
| 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 |
0.815 |
|
| 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 |
0.718 |
|
| 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 |
0.817 |
|
| 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 |
0.808 |
|
| 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 |
0.701 |
|
| 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 |
0.707 |
|
| 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 |
0.645 |
|
| 2010 |
Glotzer SC, Fuchs AH, Okazaki S, Moore J, Cummings PT. Molecular Simulation: Foreword Molecular Simulation. 36: 1196. DOI: 10.1080/08927022.2010.534898 |
0.345 |
|
| 2010 |
Labat F, Fuchs AH, Adamo C. Toward an Accurate Modeling of the Water−Zeolite Interaction: Calibrating the DFT Approach Journal of Physical Chemistry Letters. 1: 763-768. DOI: 10.1021/Jz100011P |
0.348 |
|
| 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 |
0.605 |
|
| 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 |
0.724 |
|
| 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 |
0.705 |
|
| 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 |
0.712 |
|
| 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 |
0.722 |
|
| 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 |
0.701 |
|
| 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 |
0.638 |
|
| 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 |
0.792 |
|
| 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 |
0.811 |
|
| 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 |
0.623 |
|
| 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 |
0.814 |
|
| 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 |
0.616 |
|
| 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 |
0.611 |
|
| 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 |
0.612 |
|
| 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 |
0.63 |
|
| 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 |
0.823 |
|
| 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 |
0.765 |
|
| 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 |
0.775 |
|
| 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 |
0.765 |
|
| 2005 |
Daems I, Méthivier A, Leflaive P, Fuchs AH, Baron GV, Denayer JF. Unexpected Si:Al effect on the binary mixtures liquid phase adsorption selectivities in faujasite zeolites. Journal of the American Chemical Society. 127: 11600-1. PMID 16104726 DOI: 10.1021/Ja053375Z |
0.38 |
|
| 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 |
0.635 |
|
| 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 |
0.646 |
|
| 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 |
0.65 |
|
| 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 |
0.791 |
|
| 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 |
0.602 |
|
| 2004 |
Sacquin-Mora S, Fuchs AH, Schoen M. Torsion-induced phase transitions in fluids confined between chemically decorated substrates. The Journal of Chemical Physics. 121: 9077-86. PMID 15527374 DOI: 10.1063/1.1804154 |
0.711 |
|
| 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 |
0.767 |
|
| 2004 |
Leroy F, Rousseau B, Fuchs AH. Self-diffusion of n-alkanes in silicalite using molecular dynamics simulation: A comparison between rigid and flexible frameworks Physical Chemistry Chemical Physics. 6: 775. DOI: 10.1039/B310273D |
0.542 |
|
| 2004 |
Beauvais C, Guerrault X, Coudert F, Boutin aA, Fuchs AH. Distribution of Sodium Cations in Faujasite-Type Zeolite: A Canonical Parallel Tempering Simulation Study Journal of Physical Chemistry B. 108: 399-404. DOI: 10.1021/Jp036085I |
0.384 |
|
| 2003 |
Sacquin-Mora S, Fuchs AH, Schoen M. Nanoscopic liquid bridges exposed to a torsional strain. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 68: 066103. PMID 14754265 DOI: 10.1103/Physreve.68.066103 |
0.7 |
|
| 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 |
0.783 |
|
| 2003 |
Sacquin S, Schoen M, Fuchs AH. Fluid phase transitions at chemically heterogeneous, nonplanar solid substrates: Surface versus confinement effects Journal of Chemical Physics. 118: 1453-1465. DOI: 10.1063/1.1529683 |
0.38 |
|
| 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 |
0.79 |
|
| 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 |
0.788 |
|
| 2002 |
Porcheron F, Rousseau B, Fuchs AH. Structure of ultra-thin confined alkane films from Monte Carlo simulations Molecular Physics. 100: 2109-2119. DOI: 10.1080/002689702110137301 |
0.572 |
|
| 2002 |
Sacquin S, Schoen M, Fuchs AH. Fluids confined by nanopatterned substrates of low symmetry Molecular Physics. 100: 2971-2982. DOI: 10.1080/00268970210121632 |
0.388 |
|
| 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 |
0.618 |
|
| 2002 |
Porcheron F, Schoen M, Fuchs AH. Monte Carlo simulation of a complex fluid confined to a pore with nanoscopically rough walls Journal of Chemical Physics. 116: 5816-5824. DOI: 10.1063/1.1453968 |
0.334 |
|
| 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 |
0.789 |
|
| 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 |
0.802 |
|
| 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 |
0.634 |
|
| 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 |
0.763 |
|
| 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 |
0.757 |
|
| 2001 |
Porcheron F, Rousseau B, Schoen M, Fuchs AH. Structure and solvation forces in confined alkane films Physical Chemistry Chemical Physics. 3: 1155-1159. DOI: 10.1039/B008828P |
0.536 |
|
| 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 |
0.642 |
|
| 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 |
0.789 |
|
| 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 |
0.645 |
|
| 2000 |
Delhommelle J, Millié P, Fuchs AH. On the role of the definition of potential models in Gibbs ensemble phase equilibria simulations of the H2S-pentane mixture Molecular Physics. 98: 1895-1905. DOI: 10.1080/00268970050194711 |
0.625 |
|
| 2000 |
Dysthe DK, Fuchs AH, Rousseau B. Fluid transport properties by equilibrium molecular dynamics. III. Evaluation of united atom interaction potential models for pure alkanes Journal of Chemical Physics. 112: 7581-7590. DOI: 10.1063/1.481353 |
0.557 |
|
| 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 |
0.802 |
|
| 2000 |
Delhommelle J, Tschirwitz C, Ungerer P, Granucci G, Millié P, Pattou D, Fuchs AH. Derivation of an Optimized Potential Model for Phase Equilibria (OPPE) for Sulfides and Thiols Journal of Physical Chemistry B. 104: 4745-4753. DOI: 10.1021/Jp994064B |
0.737 |
|
| 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 |
0.747 |
|
| 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 |
0.698 |
|
| 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 |
0.606 |
|
| 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 |
0.745 |
|
| 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 |
0.775 |
|
| 1999 |
Dysthe DK, Fuchs AH, Rousseau B, Durandeau M. Fluid transport properties by equilibrium molecular dynamics. II. Multicomponent systems Journal of Chemical Physics. 110: 4060-4067. DOI: 10.1063/1.478287 |
0.594 |
|
| 1999 |
Dysthe DK, Fuchs AH, Rousseau B. Fluid transport properties by equilibrium molecular dynamics. I. Methodology at extreme fluid states Journal of Chemical Physics. 110: 4047-4059. DOI: 10.1063/1.478286 |
0.551 |
|
| 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 |
0.778 |
|
| 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 |
0.73 |
|
| 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 |
0.691 |
|
| 1998 |
Bordarier P, Schoen M, Fuchs AH. Stick-slip phase transitions in confined solidlike films from an equilibrium perspective Physical Review E. 57: 1621-1635. DOI: 10.1103/Physreve.57.1621 |
0.761 |
|
| 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 |
Dysthe DK, Fuchs AH, Rousseau B. International Journal of Thermophysics. 19: 437-448. DOI: 10.1023/A:1022513411043 |
0.547 |
|
| 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 |
0.771 |
|
| 1998 |
Simon J-, Dysthe DK, Fuchs AH, Rousseau B. Thermal diffusion in alkane binary mixtures A molecular dynamics approach Fluid Phase Equilibria. 150: 151-159. DOI: 10.1016/S0378-3812(98)00286-6 |
0.543 |
|
| 1998 |
Bordarier P, Rousseau B, Fuchs AH. A model for the static friction behaviour of nanolubricated contacts Thin Solid Films. 330: 21-26. DOI: 10.1016/S0040-6090(98)00796-2 |
0.779 |
|
| 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 |
0.777 |
|
| 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 |
0.635 |
|
| 1997 |
Bordarier P, Rousseau B, Fuchs AH. Rheology of model confined ultrathin fluid films. I. Statistical mechanics of the surface force apparatus experiments The Journal of Chemical Physics. 106: 7295-7302. DOI: 10.1063/1.473691 |
0.79 |
|
| 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 |
0.778 |
|
| 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 |
0.773 |
|
| 1996 |
Simon JP, Fuchs AH, Rousseau B. Propriétés de transport en phase liquide : une approche par simulation numérique de la dynamique moléculaire Revue De L'Institut FrançAis Du PéTrole. 51: 97-104. DOI: 10.2516/Ogst:1996008 |
0.529 |
|
| 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 |
0.668 |
|
| 1996 |
Bordarier P, Rousseau B, Fuchs AH. Solvation Force and Confinement-Induced Phase Transitions of Model Ultra Thin Films Molecular Simulation. 17: 199-215. DOI: 10.1080/08927029608024109 |
0.798 |
|
| 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 |
0.601 |
|
| 1996 |
Pellenq,†,‡ RJ, Tavitian B, Espinat aD, Fuchs AH. Grand Canonical Monte Carlo Simulations of Adsorption of Polar and Nonpolar Molecules in NaY Zeolite Langmuir. 12: 4768-4783. DOI: 10.1021/La9600356 |
0.444 |
|
| 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 |
0.793 |
|
| 1995 |
Jaubert J, Neau E, Peneloux A, Fressigne C, Fuchs A. Pressure, Volume, and Temperature Calculations on an Indonesian Crude Oil Using Detailed NMR Analysis or a Predictive Method To Assess the Properties of the Heavy Fractions Industrial & Engineering Chemistry Research. 34: 640-655. DOI: 10.1021/Ie00041A026 |
0.743 |
|
| 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 |
0.6 |
|
| 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 |
0.704 |
|
| 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 |
0.784 |
|
| 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 |
0.602 |
|
| 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 |
0.717 |
|
| 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 |
0.689 |
|
| 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 |
0.627 |
|
| 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 |
0.673 |
|
| 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 |
0.696 |
|
| 1992 |
Bénière FM, Fuchs AH, Feraudy M-D, Torchet G. The hexagonal phase of sulfur hexafluoride by molecular dynamics simulation of free clusters Molecular Physics. 76: 1071-1077. DOI: 10.1080/00268979200101881 |
0.382 |
|
| 1992 |
Dosseh G, Fressigne C, Fuchs AH. Premelting in orientationally disordered molecular crystals. A re-appraisal Journal of Physics and Chemistry of Solids. 53: 203-209. DOI: 10.1016/0022-3697(92)90029-D |
0.728 |
|
| 1991 |
Dosseh G, Fuchs AH. The Sites of Premelting in Organic Compounds Zeitschrift FüR Naturforschung A. 46: 917-919. DOI: 10.1515/Zna-1991-1013 |
0.704 |
|
| 1991 |
Dosseh G, Rousseau B, Fuchs AH. Identification of aromatic molecules in intermediate boiling crude oil fractions by 2D n.m.r. spectroscopy Fuel. 70: 641-646. DOI: 10.1016/0016-2361(91)90179-E |
0.76 |
|
| 1990 |
Torchet G, Feraudy M‐d, Raoult B, Farges J, Fuchs AH, Pawley GS. Cluster model for the monoclinic to cubic transition in SF6 clusters Journal of Chemical Physics. 92: 6768-6774. DOI: 10.1063/1.458262 |
0.335 |
|
| 1990 |
Craven C, Dosseh G, Rousseau B, Fuchs A. Grain boundary premelting in crystalline benzene as studied by proton N.M.R. Journal De Physique. 51: 2489-2499. DOI: 10.1051/Jphys:0199000510210248900 |
0.761 |
|
| 1989 |
Bessada C, Fuchs A, Gallier J, Rousseau B. Dynamic disorder in stable and metastable thiophene. - II. Non Lorentzian nuclear relaxation and glass transition Journal De Physique. 50: 855-859. DOI: 10.1051/Jphys:01989005008085500 |
0.679 |
|
| 1989 |
Rousseau B, Fuchs AH. Determination of average molecular weights of high-boiling aromatic oil fractions by 13C and 1H nuclear magnetic resonance Fuel. 68: 1158-1161. DOI: 10.1016/0016-2361(89)90188-9 |
0.503 |
|
| 1988 |
Bessada C, Fuchs AH, Rousseau B, Szwarc H. Molecular relaxation and microstructures in glassy crystals Journal of Physics C: Solid State Physics. 21: 731-737. DOI: 10.1088/0022-3719/21/4/010 |
0.685 |
|
| 1988 |
André D, Bessada C, Fuchs A, Rousseau B, Szwarc H. Dynamic disorder in stable and metastable thiophene. - I. N. M. R. lineshape study and structurally based interpretations Journal De Physique. 49: 281-288. DOI: 10.1051/Jphys:01988004902028100 |
0.783 |
|
| 1988 |
Rousseau B, Bessada C, Fuchs AH. Premelting, defects and self diffusion in molecular crystals Solid State Communications. 67: 1017-1018. DOI: 10.1016/0038-1098(88)90477-2 |
0.674 |
|
| 1986 |
Bessada C, Fuchs AH, Péneau A, Szwarc H. Glassy Crystals VI. Nitrogen-14 Quadrupole Resonance in Glassy Crystalline Thiazole Zeitschrift FüR Naturforschung A. 41: 348-352. DOI: 10.1515/Zna-1986-1-266 |
0.708 |
|
| 1985 |
Fuchs AH, Virlet J, Andre D, Szwarc H. Glassy crystals. V : structural and dynamic studies of large amplitude molecular motions Journal of Computers. 82: 293-303. DOI: 10.1051/Jcp/1985820293 |
0.64 |
|
| 1985 |
Andre D, Dworkin A, Figuiere P, Fuchs AH, Szwarc H. Crystalline thiophene. II: a comprehensive study of stable and metastable phases by means of heat capacity, thermally stimulated currents and raman spectroscopy measurements Journal of Physics and Chemistry of Solids. 46: 505-513. DOI: 10.1016/0022-3697(85)90119-2 |
0.636 |
|
| 1984 |
Bonazzola L, Fuchs AH, Roncin J, Szwarc H. Glassy crystals. 2. Electron paramagnetic resonance study of molecular motions and free-radical diffusion near the glass transition in cycloalkanols: evidence for chemical diffusion The Journal of Physical Chemistry. 88: 3003-3006. DOI: 10.1021/J150658A016 |
0.62 |
|
| 1984 |
Bonazzola L, Fuchs AH, Roncin J, Szwarc H. Glassy Crystals. 2. Electron Paramagnetic Resonance Study Of Molecular Motions And Free-Radical Diffusion Near The Glass Transition In Cycloalkanols: Evidence For Chemical Diffusion Cheminform. 15. DOI: 10.1002/Chin.198442052 |
0.613 |
|
| 1982 |
Dworkin A, Fuchs AH, Ghelfenstein M, Szwarc H. Cristaux vitreux. I : RMN large bande, thermocourants de dépolarisation et analyse enthalpique dans quelques cycloalcools Journal De Physique Lettres. 43: 21-27. DOI: 10.1051/Jphyslet:0198200430102100 |
0.585 |
|
| 1980 |
Fuchs AH, Ghelfenstein M, Szwarc H. Melting curve and pressure-volume-temperature data of liquid dimethyl sulfoxide up to 150 MPa Journal of Chemical & Engineering Data. 25: 206-208. DOI: 10.1021/Je60086A004 |
0.624 |
|
| 1979 |
Figuiere P, Fuchs AH, Ghelfenstein M, Szwarc H. Thermodynamics of Molecular Reorientationally Disordered Phases at High Pressure Molecular Crystals and Liquid Crystals. 50: 85-91. DOI: 10.1080/15421407908084416 |
0.352 |
|
| 1978 |
Fuchs AH, Pruzan P, Minassian LT. Thermal expansion of benzene at high pressure determined by a calorimetric method, its behavior near melting Journal of Physics and Chemistry of Solids. 40: 369-374. DOI: 10.1016/0022-3697(79)90006-4 |
0.319 |
|
| 1978 |
Figuière P, Fuchs AH, Ghelfenstein M, Szwarc H. Pressure-volume-temperature relations for crystalline benzene Journal of Physics and Chemistry of Solids. 39: 19-24. DOI: 10.1016/0022-3697(78)90193-2 |
0.337 |
|
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