11.07.2015 Views

Zalfa NOUR Modélisation de l'adsorption des molécules à fort ...

Zalfa NOUR Modélisation de l'adsorption des molécules à fort ...

Zalfa NOUR Modélisation de l'adsorption des molécules à fort ...

SHOW MORE
SHOW LESS

You also want an ePaper? Increase the reach of your titles

YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.

41. Caldarelli, S.; Buchholz, A.; Hunger, M., Investigation of Sodium Cations inDehydrated Zeolites LSX, X, and Y by 23Na Off-Resonance RIACT Triple-Quantum andHigh-Speed MAS NMR Spectroscopy. J. Am. Chem. Soc. 2001, 123, (29), 7118 -7123.42. Verhulst, H. A. M.; Welters, W. J. J.; Vorbeck, G.; Van<strong>de</strong>ven, L. J. M.; Debeer, V. H.J.; Vansanten, R. A.; Dehaan, J. W., New Assignment of the Signals in Na-23 Dor Nmr toSodium Sites in Dehydrated Nay Zeolite. J. Phys. Chem. 1994, 98, (28), 7056-7062.43. Jaramillo, E.; Auerbach, S. M., New Force Field for Na Cations in Faujasite-TypeZeolites. J. Phys. Chem. B FIELD Full Journal Title:Journal of Physical Chemistry B 1999,103, (44), 9589-9594.44. Eulenberger, G. R.; Shoemaker, D. P.; Keil, J. G., Crystal structures of hydrated and<strong>de</strong>hydrated synthetic zeolites with faujasite aluminosilicate frameworks. I. The <strong>de</strong>hydratedsodium, potassium, and silver forms. J. Phys. Chem. 1967, 71, (6), 1812-18.45. Mortier, W. J.; Van <strong>de</strong>n Bossche, E.; Uytterhoeven, J. B., Influence of the temperatureand water adsorption on the cation location in Na-Y zeolites. Zeolites FIELD Full JournalTitle:Zeolites 1984, 4, (1), 41-4.46. Vitale, G.; Mellot, C. F.; Bull, L. M.; Cheetham, A. K., Neutron Diffraction andComputational Study of Zeolite NaX: Influence of SIII' Cations on Its Complex withBenzene. J. Phys. Chem. B 1997, 101, (23), 4559-4564.47. Olson, D. H., The crystal structure of <strong>de</strong>hydrated NaX. Zeolites FIELD Full JournalTitle:Zeolites 1995, 15, (5), 439-43.48. Hunger, J.; Beta, I. A.; Boehlig, H.; Ling, C.; Jobic, H.; Hunger, B., AdsorptionStructures of Water in NaX Studied by DRIFT Spectroscopy and Neutron Pow<strong>de</strong>rDiffraction. J. Phys. Chem. B FIELD Full Journal Title:Journal of Physical Chemistry B2006, 110, (1), 342-353.49. Beauvais, C.; Guerrault, X.; Cou<strong>de</strong>rt, F.-X.; Boutin, A.; Fuchs, A. H., Distribution ofSodium Cations in Faujasite-Type Zeolite: A Canonical Parallel Tempering Simulation Study.J. Phys. Chem. B FIELD Full Journal Title:Journal of Physical Chemistry B 2004, 108, (1),399-404.50. Van <strong>de</strong> Graaf, B.; Lan Njo, S.; S., S. K., Introduction to zeolite Mo<strong>de</strong>lling. In Reviewsin computational Chemistry, Lipkowitz, K. B.; Boyd, D. B., Eds. Wiley-VCH, John Wileyand Sons: New York, 2000; Vol. 14.51. Allen, M. P.; Til<strong>de</strong>sley, D. J., Computer Simulation of Liquids. Clarendon Press:Oxford, 1987.52. Frenkel, D.; Smit, B., Un<strong>de</strong>rstanding Molecular Simulation Aca<strong>de</strong>mic Press: London,1996.53. Schlick, T., Optimization Methods in Computational Chemistry. In Reviews inComputational Chemistry, K. B. Lipkowitz; Boyd, D. B., Eds. VCH: New York, 1992; Vol.3, pp 1-71.54. Cheetham, A. K.; Gale, J. D., Computer Simulation of the Structure, Thermochemistryand Dynmics of Adsorbed Molecules in Zeolites and Related Catalysts. In ComputerMo<strong>de</strong>ling of structure and Reactivity of Zeolites, C. R. A. Catlow, Ed. Aca<strong>de</strong>mic Press:London, 1992; pp 63-78.55. Demontis, P. F.; Suffritti, G., Molecular Dynamics Studies on Zeolites. In ComputerMo<strong>de</strong>ling of Structure and Reactivity of Zeolites, Catlow, C. R. A., Ed. Aca<strong>de</strong>mic Press:London, 1992; pp 79-132.56. Jackson, R. A.; Parker, S. C.; Tschaufeser, P., Lattice Energy and Free EnergyMinimization of Zeolites. In Computer Mo<strong>de</strong>ling of Structure and Reactivity of Zeolites,Catlow, C. R. A., Ed. Aca<strong>de</strong>mic Press: London, 1992; pp 3-61.57. Sauer, J., Structure and reactivity of zeolite catalysts: Atomistic mo<strong>de</strong>ling using abinitio techniques. Stud. Surf. Sci. Catal. FIELD Full Journal Title:Studies in Surface Science38

Hooray! Your file is uploaded and ready to be published.

Saved successfully!

Ooh no, something went wrong!