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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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Nielsen, U. G., Skibsted, J. & Jakobsen, H. J. (2002). Beta-VO2 - a V(IV) or mixed valence V(III)-V(V) oxide - studied by 51V MAS NMR spectroscopy. Chemical Physics Letters, 356, 73-78.

Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2002). Characterization of the alpha->beta phase transition in Friedels salt (Ca2Al(OH)6Cl.2H2O) by variable-temperature 27Al MAS NMR spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106, 6676-6682.

Untidt, T. S. & Nielsen, N. C. (2002). Closed solution to the Baker-Campbell-Hausdorff problem: exact effective Hamiltonian theory for analysis of nuclear-magnetic resonance experiments. Physical Review E, 65(2).

Taasti, K. I., Christensen, A. N., Norby, P., Hanson, J. C., Lebech, B., Jakobsen, H. J. & Skibsted, J. (2002). Hydrothermal synthesis, single-crystal structure analysis, and solid-state NMR characterization of Zn2(OH)0.14(3)F0.86(3)(PO4). Journal of Solid State Chemistry, 164, 42-50.

Stebbins, J. F., Du, L.-S., Kroeker, S., Neuhoff, P., Rice, D., Frye, J. & Jakobsen, H. J. (2002). New Opportunities for High-Resolution Solid-State NMR Spectroscopy of Oxide Materials at 21.1- and 18.8-Tesla Fields. Solid State Nuclear Magnetic Resonance, 21, 105-115.

Skibsted, J., Hall, C. & Jakobsen, H. J. (2002). Nuclear magnetic resonance spectroscopy and magnetic resonance imaging of cements and cement-based materials. In J. Bensted & P. B. (Eds.), Structure and Performance of Cements (2. ed., pp. 457-476). Spon press.

Bak, M., Schultz, R., Vosegaard, T. & Nielsen, N. C. (2002). Specification and visualization of anisotropic interaction tensors for numerical simulation of solid-state NMR experiments on polypeptide structures. Journal of Magnetic Resonance, 154.

Vosegaard, T., Malmendal, A. & Nielsen, N. C. (2002). The flexibility of SIMPSON and SIMMOL for numerical simulations in solid- and liquid-state NMR spectroscopy. Chem. Monthly, 133, 1555-1574.

Lindgreen, H., Drits, V. A., Sakharov, B. A., Jakobsen, H. J., Salyn, A. L., Dainyak, L. G. & Krøyer, H. (2002). The structure and diagenetic transformation of illite-smectite and chlorite-smectite from North Sea Cretaceous-Tertiary chalk. Clay Minerals, 37, 429-450.

Drits, V. A., Lindgreen, H., Sakharov, B. A., Jakobsen, H. J., Salyn, A. L. & Dainyak, L. G. (2002). Tobelitization of smectite during oil generation in oil-source shales. Application to North Sea illite-tobelite-smectite-vermiculite. Clays and Clay Minerals, 50, 82-98.

Vosegaard, T. & Nielsen, N. C. (2002). Towards high-resolution solid-state NMR on large uniformly ¹⁵N- and [¹³C, ¹⁵N]-labeled membrane proteins in oriented lipid bilayers. J. Biomol. NMR, 22, 225-247.

Odgaard, L., Bak, M., Jakobsen, H. J. & Nielsen, N. C. (2001). 13C Chemical Shift and 13C-14N Dipolar Coupling Tensors Determined by 13C Rotary Resonance Solid-State NMR. Journal of Magnetic Resonance, 148, 298-308.

Jakobsen, H. J., Bildsøe, H., Skibsted, J. & Giavani, T. (2001). 14N MAS NMR Spectroscopy: The Nitrate Ion. Journal of the American Chemical Society, 123, 5098-5099.

Nielsen, U. G., Jakobsen, H. J. & Skibsted, J. B. (2001). 51V MAS NMR Investigation of 51V Quadrupole Coupling and Chemical Shift Anisotropy in Divalent Metal Pyrovanadates. J. Phys. Chem. B., 105, 420-429.

Nielsen, U. G., Jakobsen, H. J. & Skibsted, J. (2001). 59Co Chemical Shift Anisotropy and Quadrupole Coupling for K3Co(CN)6 from MQMAS NMR and MAS NMR Spectroscopy. Solid State Nuclear Magnetic Resonance, 20, 23-24.

Schulte-Herbrüggen, T., Untidt, T. S., Nielsen, N. C. & Sørensen, O. W. (2001). Broadband composite spin-state-selective rotations for NMR spectroscopy on partially aligned molecules. Journal of Chemical Physics, 115, 8506-8517.

Bak, M., Rasmussen, L. K., Petersen, T. E. & Nielsen, N. C. (2001). Colloidal calcium phosphates in casein micelles studied by slow-speed-spinning ³¹P magic angle spinning solid-state nuclear magnetic resonance. J. Dairy Sci., 84, 1310-1319.

Bak, M., Bywater, R. P., Hohwy, M., Thomsen, J. K., Adelhorst, K., Jakobsen, H. J., Sørensen, O. W. & Nielsen, N. C. (2001). Conformation of Alamethicin in Oriented Phospholipid Bilayers Determined by 15N Solid-State Nuclear Magnetic Resonance. Biophysical Journal, (81), 1684-1698.

Bak, M., Bywater, R., Hohwy, M., Thomsen, J. K., Adelhorst, K., Jakobsen, H. J., Sørensen, O. W. & Nielsen, N. C. (2001). Conformation of alamethicin in oriented phospholipid bilayers determined by ¹⁵N solid-state NMR. Biophysical Journal, 81, 1684-1698.

Nielsen, U. G., Jakobsen, H. J., Skibsted, J. & Norby, P. (2001). Crystal structure of α-Mg2V2O7 from synchrotron X-ray powder diffraction and characterization by 51V MAS NMR spectroscopy. Chem. Soc. Dalton Trans., 3214-3218.

Evenäs, J., Malmendal, A. & Akke, M. (2001). Dynamics of the transition between open and closed conformations in a calmodolin C-terminal domain mutant. Structure, 9, 185-195.

Vosegaard, T., Florian, P., Massiot, M. & Grandinetti, P. H. (2001). Multiple-quantum magic-angle spinning using rotary resonance excitation. Journal of Chemical Physics, 114, 4618-4624.

Bak, M., Schultz, R., Nielsen, N. C., Kiihne, S. (Ed.) & deGroot, H. J. M. (Ed.) (2001). Numerical simulations for experiment design and extraction of structural parameters in biological solid-state NMR spectroscopy. In Perspectives of Solid-State NMR in Biology (pp. 95-110). Kluwer Academic Publishers.

Jakobsen, H. J., Skibsted, J., Kristensen, M. & Zauner, D. A. (2001). Phosphorus-doped thin silica films characterized by magic-angle spinning nuclear magnetic resonance spectroscopy. Journal of Applied Physics, 89, 4134-4138.

Nielsen, U. G., Skibsted, J. & Jakobsen, H. J. (2001). Resolving multiple ²⁷Al sites in AlVO₄ by ²⁷Al MAS NMR spectroscopy at 21.15 Tesla. Chem. Commun., 2690-2691.

Fyfe, C. A., Skibsted, J. & Schwieger, W. (2001). Solid-State NMR Characterization of the Mineral Searlesite and its Detection in Complex Synthesis Mixtures. Inorg. Chem., 40, 5906-5912.

Odgaard, L., Bak, M., Jakobsen, H. J. & Nielsen, N. C. (2001). ¹³C chemical shift and ¹³C-¹⁴N dipolar coupling tensors determined by ¹³C rotary resonance NMR. Journal of Magnetic Resonance, 148, 298-308.

Untidt, T. S. & Nielsen, N. C. (2000). Analytical unitary bounds on quantum dynamics: Design of optimum NMR experiments in two-spin-1/2 systems. Journal of Chemical Physics, 113, 8464-8471.

Jensen, T. R., Hazell, R. G., Vosegaard, T. & Jakobsen, H. J. (2000). A new rubidium zinc hydrogenphosphate, Rb₂Zn₂(HPO₄)₃: Synthesis, crystal structure, and ³¹P single-crystal NMR. Inorg. Chem., 39, 2026-2032.

Bunkenborg, J., Nielsen, N. C. & Sørensen, O. W. (2000). Doubling the sensitivity of natural abundance ¹³C-¹³C INADEQUATE with off-resonance compensation. Magn. Reson. Chem., 38, 58-61.

Vosegaard, T., Florian, P., Grandinetti, P. J. & Massiot, D. (2000). Pure absorption-mode spectra using a modulated RF mixing period in MQMAS experiments. Journal of Magnetic Resonance, 143, 217-222.

Vosegaard, T., Massiot, D. & Grandinetti, P. J. (2000). Sensitivity enhancements in MQ-MAS NMR of spin-5/2 nuclei using modulated RF mixing pulses. Chemical Physics Letters, 326, 454-460.

Bak, M., Rasmussen, J. T. & Nielsen, N. C. (2000). SIMPSON: A general program for solid-state NMR spectroscopy. Journal of Magnetic Resonance, 147, 296-330.

Vosegaard, T., Christensen, P. D., Hald, E. & Jakobsen, H. J. (2000). Small crystals and small coils in variable temperature single-crystal NMR. Journal of Magnetic Resonance, 142, 379-381.

Larsen, F. H., Skibsted, J. B., Jakobsen, H. J. & Nielsen, N. C. (2000). Solid-state QCPMG NMR of low-γ quadrupolar metal nuclei in natural abundance. Journal of the American Chemical Society, 122, 7080-7086.

Bak, M., Thomsen, J. K., Jakobsen, H. J., Petersen, S. E., Petersen, T. E. & Nielsen, N. C. (2000). Solid-state ¹³C and ³¹P MAS NMR analysis of urinary stones. J. Urol., 164, 856-863.

Bak, M., Sørensen, M. D., Sørensen, E. S., Rasmussen, L. K., Sørensen, O. W., Petersen, T. E. & Nielsen, N. C. (2000). The structure of the membrane-binding 38 C-terminal residues from bovine PP3 determined by liquid- and solid-state NMR spectroscopy. FEBS journal, 267, 188-199.

Massiot, D., Vosegaard, T., Magneron, N., Trumeau, D., Montouillout, V., Berthet, P., Loiseau, T. & Bujoli, B. (1999). 71Ga NMR of reference GaIV, GaV, and GaVI compounds by MAS and QPASS, extension of gallium/aluminum NMR parameter correlation. Solid State Nuclear Magnetic Resonance, 15(3), 159-169. https://doi.org/10.1016/S0926-2040(99)00053-3

Kristensen, J. H., Bildsøe, H., Jakobsen, H. J. & Nielsen, N. C. (1999). Application of lie algebra to NMR spectroscopy. Progr. NMR Spectrosc, 34, 1-69.

Vosegaard, T., Hald, E., Christensen, P. D. & Jakobsen, H. J. (1999). A two-axis goniometer for sensitivity enhancement in single-crystal nuclear magnetic resonance spectroscopy. Review of Scientific Instruments, 70(3), 1771-1779. https://doi.org/10.1063/1.1149667

Vosegaard, T., Skibsted, J. & Jakobsen, H. J. (1999). Characterization of Mo(CO)₆ by ⁹⁵Mo Single-Crystal NMR Spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103(45), 9144-9149. https://doi.org/10.1021/jp9922615

Rasmussen, L. K., Johnsen, L. B., Tsiora, A., Sørensen, E. S., Thomsen, J. K., Nielsen, N. C., Jakobsen, H. J. & Petersen, T. E. (1999). Disulphide-linked caseins and casein micelles. International Dairy Journal, 9, 215-218.

Larsen, F. H. & Nielsen, N. C. (1999). Effect of finite Rf pulses; sample spinning speed in multiple-quantum magic-angle spinning (MQ-MAS); multiple-quantum Carr-Purcell-Meiboom-Gill magic-angle spinning (MQ-QCPMG-MAS) nuclear magnetic resonance ofhalf integer quadrupolar nuclei. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103, 10825-10832.

Hohwy, M., Bildsøe, H. K., Jakobsen, H. J. & Nielsen, N. C. (1999). Efficient spectral simulations in NMR of rotating solids. The gamma-COMPUTE algorithm. Journal of Magnetic Resonance, 136, 6-14.

Hohwy, M., Bildsøe, H. K., Jakobsen, H. J. & Nielsen, N. C. (1999). Efficient spectral simulations in NMR of rotating solids. The γ-COMPUTE Algorithm. Journal of Magnetic Resonance, 136, 6-14.

Vosegaard, T., Andersen, U. & Jakobsen, H. J. (1999). Improved ⁶⁷Zn Solid-State NMR from Single-Crystals. Zn(CH₃COO)₂^.2H₂O. Journal of the American Chemical Society, 121, 1970-1971.

Rasmussen, J. T., Hohwy, M., Jakobsen, H. J. & Nielsen, N. C. (1999). Magnitude; absolute orientation of ¹H chemical shielding tensors in polycrystalline powders. A ¹H CRAMPS NMR study of KH₂PO₄. Chemical Physics Letters, 314, 239-245.

Larsen, F. H., Rasmussen, T., Pedersen, W. B., Nielsen, N. C. & Jakobsen, H. J. (1999). Observation of immobile regions in natural rubber at ambient temperature by solid-state ¹³C CP/MAS NMR spectroscopy. Polymer, 40, 7013-7017.

Untidt, T., Schulte-Herbrüggen, T., Sørensen, O. W. & Nielsen, N. C. (1999). Optimum α/β-HSQC pulse sequences for coherence-order-; spin-state-selective transfer in I₂S spin systems. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103, 8921-8926.

Kristensen, J. H., Bildsøe, H., Jakobsen, H. J. & Nielsen, N. C. (1999). Separation of ²H MAS NMR spectra by two-dimensional spectroscopy. Journal of Magnetic Resonance, 139, 314-333.

Displaying results 701 to 750 out of 788

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Revised 17.04.2023

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Lise Refstrup Linnebjerg Pedersen