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61. Soltanov, R. I.; Paukstis, E.; Yurchenko, E. N.; Dadashev, B. A.; Mamedov, S. E.;Gasymov, B. A., Acid properties of a zeolite surface containing cations of polyvalent metals.Kinet. Katal. FIELD Full Journal Title:Kinetika i Kataliz 1984, 25, (3), 729-34.62. Nicholson, D.; Parsonage, N. G., Computer simulation and the statistical mechanics ofadsorption. Aca<strong>de</strong>mic Press: London, 1982.63. Nicolas, A.; Devautour-Vinot, S.; Maurin, G.; Giuntini, J. C.; Henn, F., CationDynamics upon Adsorption of Methanol in Na-Y Faujasite Type Zeolites: A DielectricRelaxation Spectroscopy Investigation. J. Phys. Chem. C 2007, 111, (12), 4722-4726.64. Borovkov, V. Y.; Karge, H. G., Use of combination mo<strong>de</strong>s and overtones of metalcarbonyls for the IR study of cation states in zeolites: copper(I) carbonyls in reduced CuNaYzeolites. J. Chem. Soc., Faraday Trans. 1995, 91, (13), 2035-9.65. Calero, S.; Dubbeldam, D.; Krishna, R.; Smit, B.; Vlugt, T. J. H.; Denayer, J. F. M.;Martens, J. A.; Maesen, T. L. M., Un<strong>de</strong>rstanding the Role of Sodium during Adsorption: AForce Field for Alkanes in Sodium-Exchanged Faujasites. J. Am. Chem. Soc. 2004, 126, (36),11377-11386.66. Ciraolo, M. F.; Hanson, J. C.; Toby, B. H.; Grey, C. P., Combined X-ray and NeutronPow<strong>de</strong>r Refinement and NMR Study of Hydrochlorofluorocarbon HCFC-124a (CF2HCF2Cl)Binding on NaX. J. Phys. Chem. B 2001, 105, (49), 12330-12337.67. Feuerstein, M.; Hunger, M.; Engelhardt, G.; Amoureux, J. P., Characterization ofsodium cations in <strong>de</strong>hydrated zeolite NaX by 23Na NMR spectroscopy. Solid State Nucl.Magn. Reson. 1996, 7, (2), 95-103.68. Hunger, M.; Schenk, U.; Buchholz, A., Mobility of cations and guest compounds incesium-exchanged and impregnated zeolites Y and X investigated by high-temperature MASNMR spectroscopy. J. Phys. Chem. B 2000, 104, (51), 12230-12236.69. Maurin, G.; Plant, D. F.; Henn, F.; Bell, R. G., Cation Migration upon Adsorption ofMethanol in NaY and NaX Faujasite Systems: A Molecular Dynamics Approach. J. Phys.Chem. B 2006, 110, (37), 18447-18454.70. Ohgushi, T.; Sakai, Y.; Adachi, Y.; Satoh, H., Comparisons between Measured andCalculated Properties in the Microwave Heating of Na-A, K-A, and Na,Ca-A Zeolites. J.Phys. Chem. C 2009, 113, (19), 8206-8210.71. Plant, D. F.; Maurin, G.; Jobic, H.; Llewellyn, P. L., Molecular Dynamics Simulationof the Cation Motion upon Adsorption of CO2 in Faujasite Zeolite Systems. J. Phys. Chem. BFIELD Full Journal Title:Journal of Physical Chemistry B 2006, 110, (29), 14372-14378.72. Turnes Palomino, G.; Bordiga, S.; Zecchina, A.; Marra, G. L.; Lamberti, C., XRD,XAS, and IR Characterization of Copper-Exchanged Y Zeolite. J. Phys. Chem. B 2000, 104,(36), 8641-8651.73. Abrioux, C.; Coasne, B.; Maurin, G.; Henn, F.; Jeffroy, M.; Boutin, A., CationBehavior in Faujasite Zeolites upon Water Adsorption: A Combination of Monte Carlo andMolecular Dynamics Simulations. J. Phys. Chem. C FIELD Full Journal Title:Journal ofPhysical Chemistry C 2009, 113, (24), 10696-10705.233
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Je présente aussi ma reconnaissanc
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Cas de la NaY :....................
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INTRODUCTION GENERALELa nanotechnol
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INTRODUCTION GENERALEdifférents mo
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INTRODUCTION GENERALEcours de cette
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CHAPITRE 1. LES ZEOLITHES : PRESENT
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25. Maurin, G.; Plant, D. F.; Henn,
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and Catalysis 1994, 84, (ZEOLITES A
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III.2.4 Implémentation d’une sim
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CHAPITRE 2. NOTIONS FONDAMENTALES S
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Références bibliographiques1. Pau
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18. Zecchina, A.; Bordiga, S.; Turn
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VI. ANNEXES .......................
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CHAPITRE 5. MODELISATION DFT DE L
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