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Research Publications:  Monte Carlo simulations of sorbates in porous solids

COLLABORATORS

Bernoli I. Baello
    Science & Math Faculty
    Northridge Preparatory
    School, Niles, IL
Rex E. Gerald II
    Univ Missouri-Rolla
Robert A. Harris
    Univ California-Berkeley
A. Keith Jameson
Pavel Kostikin
    Bruker Biospin
Hyung-Mi Lim
    KICET, Seoul
Igor Moudrakovski
    Max Planck Institute for Solid State Research
John A. Ripmeester
    NRC, Canada
Devin N. Sears
    Gilead Sciences, Canada
D. V. Soldatov
    Univ Guelph
Dirk Stueber
    Merck Research Labs
Lela Vukovic
    Univ Illinois-Chicago

TALKS ON THIS TOPIC

Adsorption of one or more gases into cavities Xe in the channels of ALPO4-11 Adsorption and diffusion at the molecular level
Other talks on this topic

125. Grand canonical Monte Carlo simulations of xenon in zeolite NaA, I. Distribution and 129Xe chemical shifts, C. J. Jameson, A. K. Jameson, B. I. Baello and H. M. Lim, J. Chem. Phys. 100, 5965-5976 (1994).
126. Grand canonical Monte Carlo simulations of xenon in zeolite NaA, II. Structure of the adsorbed fluid, C. J. Jameson, A. K. Jameson, H. M. Lim, and B. I. Baello, J. Chem. Phys. 100, 5977-5987 (1994).
136. Xen clusters in the alpha cages of zeolite KA, C. J. Jameson, A. K. Jameson, R. E. Gerald II, and H.-M Lim, J. Chem. Phys. 103, 8811-8820 (1995).
141. Competitive adsorption of xenon and argon in zeolite NaA. 129Xe NMR and grand canonical Monte Carlo simulations, C. J. Jameson, A. K. Jameson, and H. M. Lim, J. Chem. Phys. 104, 1709-1728 (1996).
149. Distribution and 129Xe chemical shifts of Xen clusters in the alpha cages of zeolite AgA, C. J. Jameson and H. M. Lim, J. Chem. Phys. 107, 4373-4383 (1997).
150. Competitive adsorption of xenon and krypton in zeolite NaA. 129Xe NMR and grand canonical Monte Carlo simulations, C. J. Jameson, A. K. Jameson, and H. M. Lim, J. Chem. Phys. 107, 4364-4372 (1997).
151. Anisotropic Xe chemical shifts in zeolites. The role of intra- and inter-crystallite diffusion, C. J. Jameon, A. K. Jameson, R. E. Gerald II, and H. M. Lim, J. Phys. Chem. 101, 8418-8437 (1997).
152. The role of polarization of Xe by di- and monovalent cations in 129Xe NMR studies in zeolite A, C. J. Jameson, H. M. Lim, and A. K. Jameson, Solid State Nucl. Magn. Reson. 9, 277-301 (1997).
159. Application of Nuclear Shielding Surfaces to the Fundamental Understanding of Adsorption and Diffusion in Microporous Solids , C. J. Jameson, A. K. Jameson, A. C. de Dios, R. E. Gerald II, H. M. Lim, P. Kostikin, Modeling NMR Chemical Shifts: Gaining Insights into Structure and Environment, ACS Symposium Series 732, ed. J. C. Facelli and A. C. de Dios, Oxford University Press, Oxford, 1999, pp. 335-348.
162. Adsorption of xenon and CH4 mixtures in zeolite NaA. 129Xe NMR and grand canonical Monte Carlo simulations, C. J. Jameson, A. K. Jameson, P. Kostikin, and B. I. Baello, J. Chem. Phys. 112, 323-334 (2000).
165. Calculations of Xe lineshapes in model nanochannels. Grand canonical Monte Carlo averaging of the 129Xe NMR chemical shift tensor, C. J. Jameson, J. Chem. Phys. 116, 8912-8929 (2002).
175. The chemical shifts of Xe in the cages of clathrate hydrate Structure I and II, D. Stueber and C. J. Jameson, J. Chem. Phys. 120, 1560-1571 (2004).
178. The NMR lineshapes of Xe in the cages of clathrate hydrates, C. J. Jameson and D. Stueber, J. Chem. Phys. 120, 10200-10214 (2004).
181. The Xe chemical shift tensor in silicalite and SSZ-24 zeolite, C. J. Jameson, J. Am. Chem. Soc. 126, 10450-10456 (2004).
183. Xe NMR lineshapes in channels of peptide molecular crystals, I. Moudrakovski, D. V. Soldatov, J. A. Ripmeester, D. N. Sears, and C. J. Jameson, Proc. Natl. Acad. Sci., U. S. A., 101, 17924-17929 (2004).
189. Xe NMR lineshapes in channels decorated with paramagnetic centers, D. N. Sears, L. Vukovic, and C. J. Jameson, J. Chem. Phys. 125, 114708-114708-14 (2006).
215. The Xe chemical shift and chemical shift anisotropy, Cynthia J. Jameson, a chapter in Hyperpolarized Xenon-129 Magnetic Resonance: Concepts, Production, Techniques and Applications, Eike Brunner and Thomas Meersman, eds., Royal Society of Chemistry, London, 2015.

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