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Publications in 2001

Advanced solid-state NMR methods for the elucidation of structure and dynamics of molecular, macromolecular, and supramolecular systems
S. P. Brown and H. W. Spiess
Chem. Rev., 101, 4125-4155 (2001)

Investigation of an N center dot center dot center dot H hydrogen bond in a solid benzoxazine dimer by H-1-N-15 NMR correlation techniques under fast magic-angle spinning
G. R. Goward, I. Schnell, S. P. Brown, H. W. Spiess, H. D. Kim and H. Ishida
Magn. Reson. Chem., 39, S5-S17 (2001)

Tin germanate glasses
D. Holland, M. E. Smith, I. J. F. Poplett, J. A. Johnson, M. F. Thomas and J. Bland
J. Non-Cryst. Solids, 293, 175-181 (2001)
DOI: 10.1016/S0022-3093(01)00668-8

Density-structure relations in mixed-alkali borosilicate glasses by Si-29 and B-11 MAS-NMR
J. M. Roderick, D. Holland, A. P. Howes and C. R. Scales
J. Non-Cryst. Solids, 293, 746-751 (2001)
DOI: 10.1016/S0022-3093(01)00784-0

Structural implications of water dissolution in haplogranitic glasses from NMR spectroscopy: Influence of total water content and mixed alkali effect
B. C. Schmidt, T. Riemer, S. C. Kohn, F. Holtz and R. Dupree
Geochim. Cosmochim. Acta, 65, 2949-2964 (2001)

Influence of low-barrier hydrogen bonds on solid state O-17 NMR spectra of labelled phthalate species
A. P. Howes, R. Jenkins, M. E. Smith, D. H. G. Crout and R. Dupree
Chem. Commun., 1448-1449 (2001)

Comment on "Quantitative analysis of Ti-O-Si and Ti-O-Ti bonds in Ti-Si binary oxides by the linear combination of XANES"
G. Mountjoy, D. M. Pickup, R. J. Newport and M. E. Smith
J. Phys. Chem. B, 105, 6273-6273 (2001)
DOI: 10.1021/jp004257v

Recent progress in solid-state NMR of low-gamma nuclei
M. E. Smith
Annual Reports on Nmr Spectroscopy, 43, 121-175 (2001)

Structural aspects of mullite-type NaAl9O14 studied by Al-27 and Na-23 solid-state MAS and DOR NMR techniques
K. J. D. MacKenzie, M. E. Smith, M. Schmucker, H. Schneider, P. Angerer, Z. Gan, T. Anupold, A. Reinhold and A. Samoson
PCCP Phys. Chem. Chem. Phys., 3, 2137-2142 (2001)

An investigation of the hydrogen-bonding structure in bilirubin by H-1 double-quantum magic-angle spinning solid-state NMR spectroscopy
S. P. Brown, X. X. Zhu, K. Saalwachter and H. W. Spiess
J. Am. Chem. Soc., 123, 4275-4285 (2001)
DOI: 10.1021/ja004231h

Solid state NMR and X-ray studies of the structural evolution of nanocrystalline zirconia
A. V. Chadwick, G. Mountjoy, V. M. Nield, I. J. F. Poplett, M. E. Smith, J. H. Strange and M. G. Tucker
Chem. Mat., 13, 1219-1229 (2001)

Structure assignment in the solid state by the coupling of quantum chemical-calculations with NMR experiments: A columnar hexabenzocoronene derivative
C. Ochsenfeld, S. P. Brown, I. Schnell, J. Gauss and H. W. Spiess
J. Am. Chem. Soc., 123, 2597-2606 (2001)
DOI: 10.1021/ja0021823

Detection, quantification, and magnetic field dependence of solid-state O-17 NMR of X-O-Y (X,Y = Si,Ti) linkages: Implications for characterizing amorphous titania-silica-based materials
C. Gervais, F. Babonneau and M. E. Smith
J. Phys. Chem. B, 105, 1971-1977 (2001)
DOI: 10.1021/jp003519q

Si-29 T-1 relaxation in alkali silicate glasses: a method for detecting glass-in-glass phase separation
M. G. Mortuza, R. Dupree and D. Holland
J. Non-Cryst. Solids, 281, 108-116 (2001)
DOI: 10.1016/S0022-3093(00)00440-3

Quantitative determination of water speciation in aluminosilicate glasses: a comparative NMR and IR spectroscopic study
B. C. Schmidt, H. Behrens, T. Riemer, R. Kappes and R. Dupree
Chem. Geol., 174, 195-208 (2001)

Solid-state Ti-47,Ti-49 NMR determination of the phase distribution of titania nanoparticles
C. Gervais, M. E. Smith, A. Pottier, J. P. Jolivet and F. Babonneau
Chem. Mat., 13, 462-467 (2001)
DOI: 10.1021/cm0011918

Structure and dynamics of the host-guest complex of a molecular tweezer: Coupling synthesis, solid-state NMR, and quantum-chemical calculations
S. P. Brown, T. Schaller, U. P. Seelbach, F. Koziol, C. Ochsenfeld, F. G. Klarner and H. W. Spiess
Angew. Chem.-Int. Edit., 40, 717-720 (2001)

Multiple magnetic field Al-27 solid-state NMR study of the calcium aluminates CaAl4O7 and CaAl12O19
C. Gervais, K. J. D. MacKenzie and M. E. Smith
Magn. Reson. Chem., 39, 23-28 (2001)