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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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Tran, T. T., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2009). Incorporation of Fluoride Guest-Ions in the Calcium Silicate Phases of Portland Cement: A ¹⁹F, ²⁷Al and ²⁹Si MAS NMR Study. Paper presented at IBAUSIL, Weimar, Germany.

Poulsen, S. L., Jakobsen, H. J. & Skibsted, J. (2009). Methodologies for measuring the degree of reaction in Portland cement blends with supplementary cementitious materials by ²⁷Al and ²⁹Si MAS NMR spectroscopy. Paper presented at IBAUSIL, Weimar, Germany.

Ravnsbæk, D., Jensen, T. R. & Skibsted, J. (2009). New Tetrahydridoborates for Hydrogen Storage. Poster session presented at the 5^th Annual Inano Meeting, Århus, Denmark.

Jakobsen, H. J., Bildsøe, H. K., Skibsted, J., Brorson, M., Srinivasan, B. R., Näther, C. & Bensch, W. (2009). New opportunities in acquisition and analysis of natural-abundance complex solid-state ³³S MAS NMR spectra: (CH₃NH₃)₂WS₄. Physical Chemistry Chemical Physics, 11, 6981-6986.

Bomholdt Ravnsbæk, D., Filinchuk, Y., Cerenius, Y., Jakobsen, H. J., Besenbacher, F., Skibsted, J. & Jensen, T. R. (2009). Novel Zinc-based Hydrogen Storage Materials. Poster session presented at 7^th Annual iNANO Meeting, Århus, Denmark.

Jørgensen, M. R., Madsen, G., Jakobsen, H. J. & Skibsted, J. (2009). Resolution and Assignment of Multiple ²⁷Al Sites in Calcium Aluminates from ²⁷Al MAS and MQMAS NMR Combined with DFT Calculations. Poster session presented at 50^th Experimental NMR Conference, Asilomar, Pacific Groove, California, United States.

Tran, T. T., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2009). Site Preferences of Fluoride Guest Ions in the Calcium Silicate Phases of Portland Cement from ²⁹Si{¹⁹F} CP-REDOR NMR Spectroscopy. Journal of the American Chemical Society, 131(40), 14170-14171. https://doi.org/10.1021/ja905223d

Jakobsen, H. J., Bildsøe, H. K., Skibsted, J., Brorson, M., Srinivasan, B. R., Bensch, W. & Hansen, M. R. (2009). Site Preferences of NH4⁺ in Its Solid Solutions with Cs₂WS₄ and Rb₂WS₄ from ¹⁴N, ³³S, ⁸⁷Rb, and ¹³³Cs MAS NMR. Poster session presented at 50^th Experimental NMR Conference, Asilomar, Pacific Groove, California, United States.

Jakobsen, H. J., Bildsøe, H. K., Skibsted, J., Hansen, M. R., Brorson, M., Srinivasan, B. R., Srinivasan, B. R. & Bensch, W. (2009). Site Preferences of NH₄⁺in Its Solid Solutions with Cs₂WS₄ and Rb₂WS₄ from ¹⁴N, ³³S, ⁸⁷Rb, and ¹³³Cs MAS NMR. Poster session presented at 50^th Experimental NMR Conference, Asilomar, Pacific Groove, California, United States.

Jakobsen, H. J., Bildsøe, H. K., Skibsted, J., Hansen, M. R., Brorson, M., Srinivasan, B. R. & Bensch, W. (2009). Site Preferences of NH₄⁺ in its Solid Solutions with Cs₂WS₄ and Rb₂WS₄ from Multinuclear Solid-State NMR. Inorganic Chemistry, 48(5), 1787-1789.

Hansen, M. R., Jakobsen, H. J. & Skibsted, J. (2009). Structure and Dynamics of Hydrous Surface Species on Alumina-Boria Catalysts and Their Precursors from ¹H, ²H, ¹¹B, and ²⁷Al MAS NMR Spectroscopy. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 113(6), 2475-2486.

Bomholdt Ravnsbæk, D., Filinchuk, Y., Cerenius, Y., Jakobsen, H. J., Besenbacher, F., Skibsted, J. & Jensen, T. R. (2009). Novel Zinc-based Hydrogen Storage Materials. Poster session presented at Beyond Kyoto, Århus, Denmark.

Skibsted, J. & Hall, C. (2008). Characterization of cement minerals, cements and their reaction products at the atomic and nano scale. Cement and Concrete Research, 38, 205-225.

Lindgreen, H., Geiker, M., Krøyer, H., Springer, N. & Skibsted, J. (2008). Microstructure engineering of Portland cement pastes and mortars through addition of ultrafine layer silicates. Cement and Concrete Composites, 30, 686-699.

Bomholdt Ravnsbæk, D., Skibsted, J., Cerenius, Y. & Jensen, T. R. (2008). New alkali zinc tetrahydridoboranates. Poster session presented at MH2008, Reykjavik, Iceland.

Jakobsen, H. J., Brorson, M., Bildsøe, H. K., Skibsted, J. & Hansen, M. R. (2008). Sensitivity Enhancement in Natural Abundance Solid-State ³³S MAS NMR Spectroscopy Employing Adiabatic Inversion Pulses to the Satellite Transitions. Abstract from 49^th Experimental NMR Conference, Asilomar, Pacific Grove, California, United States.

Jakobsen, H. J., Brorson, M., Bildsøe, H. K., Skibsted, J. & Hansen, M. R. (2008). Sensitivity Enhancement in Natural-Abundance Solid-State ³³S MAS NMR Spectroscopy Employing Adiabatic Inversion Pulses to the Satellite Transitions. Poster session presented at 49th Experimental NMR Conference (ENC), Asilomar, California, United States.

Hansen, M. R., Brorson, M., Bildsøe, H. K., Skibsted, J. & Jakobsen, H. J. (2008). Sensitivity enhancement in natural-abundance solid-state ³³S MAS NMR spectroscopy employing adiabatic inversion pulses to the satellite transitions. Journal of Magnetic Resonance, 190, 316-326.

Hansen, M. R., Jakobsen, H. J. & Skibsted, J. (2008). Structural environments for boron and aluminum in alumina-boria catalysts and their precursors from ¹¹B and ²⁷Al single- and double-resonance MAS NMR experiments. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 112, 7210-7222.

Leth, K. T., Rovik, A. K., Holm, M. S., Brorson, M., Jakobsen, H. J., Skibsted, J. & Christensen, C. H. (2008). Synthesis and characterization of conventional and mesoporous Ga-MFI for ethane dehydrogenation. Applied Catalysis A: General, 348, 257-265.

Christensen, A. N., Jensen, T. R., Lebech, B., Hanson, J. C., Jakobsen, H. J. & Skibsted, J. (2008). Thermal decomposition of monocalcium aluminate decahydrate (CaAl₂O₄.10H₂O) investigated by in-situ synchrotron X-ray powder diffraction, thermal analysis and ²⁷Al, ²H MAS NMR spectroscopy. Dalton Transactions (Print Edition), 455-462.

Jakobsen, H. J., Hove, A. R., Bildsøe, H. K., Skibsted, J. & Brorson, M. (2007). Advancements in natural abundance solid-state ³³S MAS NMR: characterization of transition-metal M=S bonds in ammonium tetrathiometallates. Chem. Commun., 1629-1631.

Skibsted, J., Andersen, M. D. & Jakobsen, H. J. (2007). Applications of solid-state Nuclear Magnetic Resonance (NMR) in studies of Portland cements-based materials. Zement Kalk Gips, 60(6), 70-83.

Skibsted, J. & Hall, C. (2007). Characterization of cement minerals, cements and their reaction products at the atomic and nanoscale level. In 12. International Congress on the Chemistry of Cement, Montréal, Canada (pp. WPL2: 1-44)

Meller, N., Hall, C., Kyritsis, K., Giriat, G., Jakobsen, H. J. & Skibsted, J. (2007). Incorporation of Aluminium Guest-ions in Nominally Alumina-free Calcium Silicate Hydrates: Effects on Crystal Structure and Thermal Stability. In 12. International Congress on the Chemistry of Cement, Montréal, Canada (pp. TH4-10.1 1-12)

Jakobsen, H. J., Hove, A. R., Bildsøe, H. K., Skibsted, J. B. & Brorson, M. (2007). Long-term stability of rotor-controlled MAS frequencies to 0.1 Hz proved by ¹⁴N MAS NMR experiments and simulations. Journal of Magnetic Resonance, 185, 159-163.

Hansen, M. R., Brorson, M., Bildsøe, H. K., Skibsted, J. & Jakobsen, H. J. (2007). Sensitivity Enhancement in Natural-Abundance Solid-State 33S MAS NMR Spectroscopy Employing Adiabatic Inversion Pulses to the Satellite Transitions. Poster session presented at 29. Jahrestagung der GDCh_fachgruppe magnetische Resonanzspektroskopie, Göttingen, Germany.

Hansen, M. R., Brorson, M., Bildsøe, H. K., Skibsted, J. & Jakobsen, H. J. (2007). Sensitivity Enhancement in Natural-Abundance Solid-State ³³S MAS NMR Spectroscopy Employing Adiabatic Inversion Pulses to the Satellite Transitions. Poster session presented at 5^th Alpine Conference on Solid-State NMR, Chamonix, France.

Weil, M., Puchberger, M., Füglein, E., Baran, E. J., Vannahme, J., Jakobsen, H. J. & Skibsted, J. B. (2007). Single-Crystal Growth and Characterization of Disilver(I) Monofluorophosphate(V), Ag₂PO₃F: Crystal Structure, Thermal Behavior, Vibrational Spectroscopy, and Solid-State ¹⁹F, ³¹P, and ¹⁰⁹Ag MAS NMR Spectroscopy: . Inorg. Chem., 46(3), 801-808.

Andersen, M. D., Jakobsen, H. J. & Skibsted, J. B. (2006). A new aluminium-hydrate species in hydrated Portland cements characterized by ²⁷Al and ²⁹Si MAS NMR spectroscopy. Cem. Concr. Res., 36, 3-17.

Hansen, M. R., Madsen, G. K. H., Jakobsen, H. J. & Skibsted, J. B. (2006). Evaluation of ²⁷Al and ⁵¹V Electric Field Gradients and the Crystal Structure for Aluminum Orthovanadate (AlVO₄) by Density Functional Theory Calculations. J. Phys. Chem. B., 110, 5975-5983.

Hove, A. R., Bildsøe, H. K., Skibsted, J. B., Brorson, M. & Jakobsen, H. J. (2006). Probing Crystal Structures and Transformation Reactions of Ammonium Molybdates by ¹⁴N MAS NMR Spectroscopy. Inorg. Chem., 45, 10873-10881.

Hansen, M. R., Madsen, G. K. H., Jakobsen, H. J. & Skibsted, J. (2006). Refinement of Inorganic Structures by Coupling of Density Functional Theory Calculations with Quadrupolar Coupling Interaction Parameters from Solid-State NMR. Poster session presented at 1st EUROMAR Conference, York, United Kingdom.

Jakobsen, H. J., Hove, A. R., Bildsøe, H. K. & Skibsted, J. B. (2006). Satellite transitions in natural abundance solid-state ³³S MAS NMR of alums - Sign change with zero-crossing of C_Q in a variable temperature study. Journal of Magnetic Resonance, 179, 444-451.

Jakobsen, H. J., Hove, A. R., Hazell, R. G., Bildsøe, H. K. & Skibsted, J. B. (2006). Solid-state ¹⁴N MAS NMR of ammonium ions as a spy to structural insights for ammonium salts. Magn. Reson. Chem., 44, 348-356.

Skibsted, J. B., Andersen, M. D. & Jakobsen, H. J. (2006). Structural Investigations of Portland Cement Components, Hydration, and Effects of Admixtures by Solid-State NMR Spectroscopy. In 16th IBAUSIL - Internationale Baustofftagung, Weimar, Germany: 16th IBAUSIL - Internationale Baustofftagung, Weimar, Germany, 20. - 23. September 2006 (Vol. 1, pp. 297-312). Dorothea Rohrmann.

Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2005). Effects of T₂-relaxation in MAS NMR spectra of the satellite transitions for quadrupolar nuclei: a ²⁷Al MAS and single-crystal NMR study of alum KAl(SO₄)₂^.12H₂O. Journal of Magnetic Resonance, (173), 209-217.

Nielsen, M., Thomsen, A. H., Jensen, T. R., Jakobsen, H. J., Skibsted, J. & Gothelf, K. V. (2005). Formation and Structure of Conjugated Salen-Cross-Linked Polymers and Their Application in Asymmetric Heterogeneous Catalysis. Eur. J. Org. Chem., 342-347.

Hansen, M. R., Madsen, G. K. H., Jakobsen, H. J. & Skibsted, J. (2005). Refinement of Borate Structures from ¹¹B MAS NMR Spectroscopy and Density Functional Theory Calculations of ¹¹B Electric Field Gradients. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109(9), 1989-1997.

Zhou, B., Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2005). Structure refinement of CsNO₃(II) by coupling of ¹⁴N MAS NMR experiments with WIEN2k DFT calculations. Chemical Physics Letters, 402, 133-137.

Hansen, M. R., Vosegaard, T., Jakobsen, H. J. & Skibsted, J. (2004). ¹¹B Chemical Shift Anisotropies in Borates from ¹¹B MAS, MQMAS, and Single-Crystal NMR Spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 108, 586-594.

Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2004). A solid-state ¹⁴N magic-angle spinning NMR study of some amino acids. Journal of Magnetic Resonance, 166, 262-272.

Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2004). Characterization of white Portland cement hydration and the C-S-H structure in the presence of sodium aluminate by ²⁷Al and ²⁹Si MAS NMR spectroscopy. Cement Concrete Res., 34, 857-868.

Nielsen, U. G., Topsøe, N-Y., Brorson, M., Skibsted, J. & Jakobsen, H. J. (2004). The Complete ⁵¹V MAS NMR Spectrum of Surface Vanadia Nanoparticles on Anatase (TiO₂): Vanadia Surface Structure of a DeNO_x Catalysts. Journal of the American Chemical Society, 126(15), 4926-4933.

Hansen, M. R., Jakobsen, H. J. & Skibsted, J. (2003). 29Si chemical shift anisotropies in calcium silicates from high-field 29Si MAS NMR spectroscopy. Inorg. Chem. 42, 2368-2377, 42, 2368-2377. http://pubs.acs.org/cgi-bin/article.cgi/inocaj/2003/42/i07/pdf/ic020647f.pdf

Skibsted, J., Rasmussen, S., Herfort, D. & Jakobsen, H. J. (2003). 29Si cross-polarization magic-angle spinning NMR spectroscopy - an efficient tool for quantification of thaumasite in cement-based materials. Cement Concrete Comp, 25, 823-829. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWF-4979J9S-6-1X&_cdi=5561&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999749991&view=c&wc hp=dGLbVzz-zSkWz&_acct=C000034578&_version=1&_userid=642076&md5=71df6a362168e2cc4a3ae3d9a8c7702b&ie=f.pdf

Hauch, A., Bildsøe, H., Jakobsen, H. J. & Skibsted, J. (2003). 2H chemical shift anisotropies from high-field 2H MAS NMR spectroscopy. Journal of Magnetic Resonance, 165, 282-292. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6WJX-49W6PFP-2-4D&_cdi=6890&_orig=browse&_coverDate=12%2F31%2F2003&_sk=998349997&view=c&w chp=dGLbVlz-zSkWW&_acct=C000034578&_version=1&_userid=642076&md5=bce9dc96bf576f0f1c666a00590d7024&ie=f.pdf

Juel, I., Herfort, D., Gollop, R., Konnerup-Madsen, J., Jakobsen, H. J. & Skibsted, J. (2003). A thermodynamic model for predicting the stability of thaumasite. Cement Concrete Comp, 25, 867-872. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWF-49NVGWW-1-H&_cdi=5561&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999749991&view=c& wchp=dGLbVtb-zSkWb&_acct=C000034578&_version=1&_userid=642076&md5=77425a3e0e1a20826942ceed2924c3c8&ie=f.pdf

Skibsted, J., Andersen, M. D., Hansen, M. R. & Jakobsen, H. J. (2003). Characterization of Guest-Ions in Cement Minerals and the C-S-H Phase by solid-State NMR Spectroscopy. Poster session presented at Rocky Mountain Conference on Analytical Chemistry, Denver, Colorado, United States.

Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2003). Determination of nitrogen chemical shift anisotropy from the second-order cross-term in 14N MAS NMR spectroscopy. Chemical Physics Letters, 377, 426-432. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TFN-495VMSG-4-2T&_cdi=5231&_orig=browse&_coverDate=08%2F15%2F2003&_sk=996229996&view=c&w chp=dGLbVtb-zSkzS&_acct=C000034578&_version=1&_userid=642076&md5=c9bfe228a62531273aedb2446be7cb07&ie=f.pdf

Displaying results 201 to 250 out of 275

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Revised 09.06.2021

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Lise Refstrup Linnebjerg Pedersen