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Publications in 2004

Advanced physical characterisation of the structural evolution of amorphous (TiO2)(x)(SiO2)(1-x) sol-gel materials
G. W. Wallidge, R. Anderson, G. Mountjoy, D. M. Pickup, P. Gunawidjaja, R. J. Newport and M. E. Smith
J. Mater. Sci., 39, 6743-6755 (2004)

Solid-state O-17 NMR as a probe for structural studies of proteins in biomembranes
V. Lemaitre, M. R. R. de Planque, A. P. Howes, M. E. Smith, R. Dupree and A. Watts
J. Am. Chem. Soc., 126, 15320-15321 (2004)
DOI: 10.1021/ja0473283

The 2D MAS NMR spin-echo experiment: the determination of C-13-C-13 J couplings in a solid-state cellulose sample
S. P. Brown and L. Emsley
J. Magn. Reson., 171, 43-47 (2004)
DOI: 10.1016/j.jmr.2004.07.022

Probing proton-proton proximities in the solid state: High-resolution two-dimensional H-1-H-1 double-quantum CRAMPS NMR spectroscopy
S. P. Brown, A. Lesage, B. Elena and L. Emsley
J. Am. Chem. Soc., 126, 13230-13231 (2004)
DOI: 10.1021/ja045461p

Special issue: Recent advances and applications of solid-state NMR from superconducting physics to molecular biology
S. P. Brown and M. E. Smith
Solid State Nucl. Magn. Reson., 26, 113-113 (2004)
DOI: 10.1016/j.ssnmr.2004.04.001

Solid state Ti-47,Ti-49, Sr-87 and Ba-137 NMR characterisation of mixed barium/strontium titanate perovskites
C. Gervais, D. Veautier, M. E. Smith, F. Babonneau, P. Belleville and C. Sanchez
Solid State Nucl. Magn. Reson., 26, 147-152 (2004)
DOI: 10.1016/j.ssnmr.2004.03.003

The role of Sb5+ in the structure of Sb2O3-B2O3 binary glasses - an NMR and Mossbauer spectroscopy study
D. Holland, A. C. Hannon, M. E. Smith, C. E. Johnson, M. F. Thomas and A. M. Beesley
Solid State Nucl. Magn. Reson., 26, 172-179 (2004)
DOI: 10.1016/j.ssnmr.2004.02.004

Characterisation of O-17-enriched alumina from a new hydrothermal preparation
B. C. Schmidt, F. Gaillard and M. E. Smith
Solid State Nucl. Magn. Reson., 26, 197-202 (2004)
DOI: 10.1016/j.ssnmr.2004.03.006

S-33 solid state NMR of sulphur speciation in silicate glasses
S. Couch, A. P. Howes, S. C. Kohn and M. E. Smith
Solid State Nucl. Magn. Reson., 26, 203-208 (2004)
DOI: 10.1016/j.ssnmr.2004.03.007

A review of oxygen-17 solid-state NMR of organic materials - towards biological applications
V. Lemaitre, M. E. Smith and A. Watts
Solid State Nucl. Magn. Reson., 26, 215-235 (2004)
DOI: 10.1016/j.ssnmr.2004.04.004

S-phase sialon ceramics; Microstructure and properties
M. H. Lewis, B. Basu, M. E. Smith, M. Bunyard and T. Kemp
Silic. Ind., 69, 225-231 (2004)

The effect of dissolved water on the intracrystalline partitioning of Al in orthopyroxene
S. C. Kohn, B. M. Roome and M. E. Smith
Geochim. Cosmochim. Acta, 68, A36-A36 (2004)

The structure of TiO2-SiO2 sol-gel glasses from neutron diffraction with isotopic substitution of titanium and O-17 and Ti-49 solid-state NMR with isotopic enrichment
D. M. Pickup, F. E. Sowrey, R. J. Newport, P. N. Gunawidjaja, K. O. Drake and M. E. Smith
J. Phys. Chem. B, 108, 10872-10880 (2004)
DOI: 10.1021/jp049053j

Structural implications of water and boron dissolution in albite glass
B. C. Schmidt, N. Zotov and R. Dupree
J. Non-Cryst. Solids, 337, 207-219 (2004)
DOI: 10.1016/j.jnoncrysol.2004.04.007

Theoretical investigation of oxygen-17 NMR shielding and electric field gradients in glutamic acid polymorphs
J. R. Yates, C. J. Pickard, M. C. Payne, R. Dupree, M. Profeta and F. Mauri
J. Phys. Chem. A, 108, 6032-6037 (2004)
DOI: 10.1021/jp049362+

Structural studies of bioactivity in sol-gel-derived glasses by X-ray spectroscopy
L. J. Skipper, F. E. Sowrey, D. M. Pickup, V. Fitzgerald, R. Rashid, K. O. Drake, Z. J. Lin, P. Saravanapavan, L. L. Hench, M. E. Smith and R. J. Newport
J. Biomed. Mater. Res. Part A, 70A, 354-360 (2004)

New insights into medium-range order around titanium sol-gel derived silica through isotope in difference neutron diffraction and reverse Monte Carlo modelling
D. M. Pickup, F. E. Sowrey, K. O. Drake, M. E. Smith and R. J. Newport
Chem. Phys. Lett., 392, 503-507 (2004)
DOI: 10.1016/j.cplett.2004.06.005

Probing the local structural environment of calcium by natural-abundance solid-state Ca-43 NMR
Z. J. Lin, M. E. Smith, F. E. Sowrey and R. J. Newport
Phys. Rev. B, 69, (2004)

Solid-state O-17 NMR of amino acids
K. J. Pike, V. Lemaitre, A. Kukol, T. Anupold, A. Samoson, A. P. Howes, A. Watts, M. E. Smith and R. Dupree
J. Phys. Chem. B, 108, 9256-9263 (2004)
DOI: 10.1021/jp049958x

Principles of spin-echo modulation by J-couplings in magic-angle-spinning solid-state NMR
L. Duma, W. C. Lai, M. Carravetta, L. Emsley, S. P. Brown and M. H. Levitt
ChemPhysChem, 5, 815-833 (2004)

Investigation of Al-O-Al sites in an Na-aluminosilicate glass
E. Yildirim and R. Dupree
Bull. Mat. Sci., 27, 269-272 (2004)

Carrier concentration independent antiferromagnetic spin fluctuations in the electron-doped high-temperature superconducting cuprate Pr2-xCexCuO4
G. V. M. Williams, S. Kramer, R. Dupree and A. Howes
Phys. Rev. B, 69, (2004)

Charge and spin dynamics in the electron-doped high temperature superconducting cuprates
G. V. M. Williams, S. Kramer and R. Dupree
Curr. Appl. Phys., 4, 280-283 (2004)

Structure-property relationships in the nonlinear optical crystal KTiOPO4 investigated using NMR and a initio DFT calculations
P. A. Thomas, A. Baldwin, R. Dupree, P. Blaha, K. Schwarz, A. Samoson and Z. H. Gan
J. Phys. Chem. B, 108, 4324-4331 (2004)
DOI: 10.1021/jp037473n

Systematic empirical analysis of calcium-oxygen coordination environment by calcium K-edge XANES
F. E. Sowrey, L. J. Skipper, D. M. Pickup, K. O. Drake, Z. Lin, M. E. Smith and R. J. Newport
PCCP Phys. Chem. Chem. Phys., 6, 188-192 (2004)