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Research Publications:  Nuclear shielding surfaces

COLLABORATORS

Bernoli I. Baello
    Science & Math Faculty
    Northridge Preparatory
    School, Niles, IL
A. David Buckingham
    Univ Cambridge, UK
Angel C. de Dios
    Georgetown University
Rex E. Gerald II
    Univ Missouri-Rolla
A. Keith Jameson
Pavel Kostikin
    Bruker Biospin
Hyung-Mi Lim
    KICET, Seoul
H. Jörg Osten
    Leibniz Univ Hannover
    Germany
Devin N. Sears
    Gilead Sciences, Canada
Dirk Stueber
    Merck Research Labs
Lela Vukovic
    Univ Texas-El Paso

TALKS ON THIS TOPIC

Xe chemical shift tensors in clathrate hydrates Xe chemical shifts in oxygen gas
Other talks on this topic

INTRAMOLECULAR
Note: In addition, empirical derivatives of nuclear shielding surfaces are found in the articles listed under Rovibrational averaging of molecular electronic properties.
38. Nuclear magnetic shielding density, C. J. Jameson and A. D. Buckingham, J. Phys. Chem. 83, 3366-3371 (1979).
41. Molecular electronic property density functions: Nuclear magnetic shielding density, C. J. Jameson and A. D. Buckingham, J. Chem. Phys. 73, 5684-5692 (1980).
64. Correlation between the 19F absolute nuclear magnetic shielding and its temperature dependence in the fluoromethanes, C. J. Jameson, Mol. Phys. 54, 73-79 (1985).
76. Theoretical aspects of the isotope effect on nuclear shielding, C. J. Jameson and H. J. Osten, a review chapter in Annual Reports on NMR Spectroscopy, G. A. Webb, ed. Academic Press, London, 1986, Vol. 17, 1-78.
102. Rovibrational averaging of molecular electronic properties, a chapter in Theoretical Models of Chemical Bonding, Z. B. Maksic, ed., Part 3. Molecular Spectroscopy, Electronic Structure, and Intramolecular Interactions, Springer-Verlag, Berlin, 1991, pp. 457-519.
111. Nuclear magnetic shielding of nitrogen in ammonia, C. J. Jameson, A. C. de Dios, and A. K. Jameson, J. Chem. Phys., 95, 1069-1079 (1991).
114. The 31P shielding in phosphine, C. J. Jameson, A. C. de Dios, and A. K. Jameson, J. Chem. Phys., 95, 9042-9053 (1991).

INTERMOLECULAR
18. An empirical chemical shielding function for interacting atoms from direct inversion of NMR data, C. J. Jameson, J. Chem. Phys. 63, 5296-5301 (1975).
119. Ab initio calculations of the intermolecular chemical shift in nuclear magnetic resonance in the gas phase and for adsorbed species, C. J. Jameson and A. C. de Dios, J. Chem. Phys., 97, 417-434 (1992).
135. Ab initio studies of the nuclear magnetic resonance chemical shifts of a rare gas atom in a zeolite, C. J. Jameson and H. -M. Lim, J. Chem. Phys. 103, 3885-3894 (1995).
148. The 129Xe nuclear shielding surfaces for Xe interacting with linear molecules CO, N2 and CO2, A. C. de Dios and C. J. Jameson, J. Chem. Phys. 107, 4253-4270 (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).
164. Xe nuclear magnetic resonance lineshapes in nanochannels, C. J. Jameson and A. C. de Dios, J. Chem. Phys. 116, 3805-3821 (2002).
167. The 129Xe nuclear shielding tensor surfaces for Xe interacting with rare gas atoms, C. J. Jameson, D. N. Sears and A. C. de Dios, J. Chem. Phys. 118, 2575-2580 (2003).
174. Theoretical calculations of Xe chemical shifts in cryptophane cages, D. N. Sears and C. J. Jameson, J. Chem. Phys. 119, 12231-12244 (2003).
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).
180. The Xe shielding surfaces for Xe interacting with linear molecules and spherical tops, D. N. Sears and C. J. Jameson, J. Chem. Phys. 121, 2151-2157 (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).
185. Intermolecular hyperfine tensor for Xe@O2. Density and temperature dependence of Xe chemical shifts in oxygen gas, L. Vukovic, C. J. Jameson, and D. N. Sears, Mol. Phys. 104, 1217-1225 (2006).

BOTH INTRA- AND INTERMOLECULAR
42. Effects of intermolecular interactions and intramolecular dynamics on nuclear resonance, C. J. Jameson, Bull. Magn. Reson. 3, 3-28 (1980).
115. Gas phase NMR spectroscopy, C. J. Jameson, Chem. Rev., 91, 1375-1395 (1991).
120. The nuclear magnetic shielding as a function of internuclear separation, C. J. Jameson and A. C. de Dios, J. Chem. Phys., 98, 2208-2217 (1993).
121. The nuclear shielding surface: The shielding as a function of molecular geometry and intermolecular separation, C. J. Jameson and A. C. de Dios, in Nuclear Magnetic Shielding and Molecular Structure J. A. Tossell, ed., Kluwer Academic Publishers, Dordrecht, 1993, pp. 95-116.
144. Understanding NMR chemical shifts, C. J. Jameson, Ann. Rev. Phys. Chem. 47, 135-169 (1996).

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