Publikationer

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Publikationer fra Institut for Kemi

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Mikkelsen, L. M., Jensen, C. M., Høj, B., Blakskjær, P. & Skrydstrup, T. (2003). Further studies in the acyl-type radical additions promoted by SmI2: mechanistic implications and stereoselective reduction of the keto-functionality. Tetrahedron, 59, 10541-10549.

Boye, S. V., Nielsen, S. V., Nielsen, S. B., Krogh, H., Lapierre, A., Pedersen, H. B., Pedersen, S. U., Pedersen, U. V. & Andersen, L. H. (2003). Gas-phase absorption properties of a green fluorescent proteinmutant chromophore. Journal of Chemical Physics, 119, 338-345.

Arleth, L., Bauer, R., Ogendal, L. H., Egelhaaf, S. U., Schurtenberger, P. & Pedersen, J. S. (2003). Growth behavior of mixed wormlike micelles: a small-angle scattering study of the lecithin-bile salt system. Langmuir, 19, 4096-4104.

Gatti, C., Bertini, L., Blake, N. P. & Iversen, B. B. (2003). Guest-Framework Interaction in Type I Inorganic Clathrates with Promising Thermoelectric Properties: On the Ionic versus Neutron Nature of the Alkaline-Earth Metal Guest A in A8Ga16Ge30 (A = Sr, Ba). Chemistry - A European Journal, 9, 4556-4568.

Britz, D. (2003). Higher-order spatial discretisations in digital simulations. Algorithm for any multi-point first- or second derivative on an arbitrarily spaced grid. Electrochemistry Communications, 5, 195-198.

Britz, D. & Strutwolf, J. (2003). Higher-order spatial discretisations in electrochemical digital simulations. Part 4. Discretisation on an arbitrarily spaced grid. Comp. Biol. Chem., 27, 327-337.

Halland, N., Aburel, P.-S. & Jørgensen, K. A. (2003). Highly Enantioselective Organocatalytic Conjugate Addition of Malonates to Acyclic a,b-Unsaturated Enones. Angewandte Chemie International Edition, 42, 661-665.

Jørgensen, J.-E., Jakobsen, J. M., Jiang, J. Z., Gerward, L. & Olsen, J. S. (2003). High-pressure X-ray diffraction study of bulk- and nanocrystalline GaN. Journal of Applied Crystallography, 36, 920-925.

Hegelund, F., Larsen, R. W. & Nelander, B. (2003). High-Resolution FT-IR Study of the nu12 Band at 338 cm-1 of trans-Glyoxal. Asian Chem. Lett., 7, 53-60.

Hegelund, F., Wugt Larsen, R. W., Nelander, B., Christen, D. & Palmer, M. H. (2003). High-resolution infrared and microwave study of the nu20 and nu21 levels near 300 cm-1 in 1,2,4-triazine. J. Mol. Spectrosc., 217, 9-18.

Weissbuch, I., Zepik, H., Bolbach, G., Shavit, E., Tan, M., Jensen, T. R., Kjaer, K., Leiserowitz, L. & Lahav, M. (2003). Homochiral Oligopeptides by Chiral Amplification within Two-Dimensional Crystalline Self-Assemblies at the Air-Water Interface; Relevance to Biomolecular Handedness. Chemistry - A European Journal, 9, 1782-1794. http://www3.interscience.wiley.com/cgi-bin/fulltext/104520225/PDFSTART

Larsen, F. K., Overgaard, J., Parsons, S., Rentschler, E., Smith, A. A., Timco, G. A. & Winpenny, R. E. P. (2003). Horseshoes, Rings, and Distorted Rings: Studies of Cyclic Chromium-Fluoride Cages. Angewandte Chemie International Edition, 42, 5978-5981.

Krøyer, H., Lindgreen, H., Jakobsen, H. J. & Skibsted, J. (2003). Hydration of Portland cement in the presence of clay minerals studied by 29Si and 27Al MAS NMR spectroscopy. Advances in Cement Research, 15, 103-112.

Jensen, S. K., Tang, T.-H. & Csizmadia, I. G. (2003). Hydrogen-Bonding Ability of a Methyl Group. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 107, 8975-8979.

Berntson, L., Andersson Gäre, B., Fasth, A., Herlin, T., Kristinsson, J., Lahdenne, P., Marhaug, G., Nielsen, S., Pelkonen, P., Rygg, M. & Nordic Study Group (2003). Incidence of juvenile idiopathic arthritis in the Nordic countries. A population based study with special reference to the validity of the ILAR and EULAR criteria. Journal of Rheumatology, 30(10), 2275-82.

Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2003). Incorporation of aluminum in the calcium silicate hydrate (C-S-H) of hydrated Portland cements: A high-field 27Al and 29Si MAS NMR investigation. Inorganic Chemistry, 42, 2280-2287. http://pubs.acs.org/cgi-bin/article.cgi/inocaj/2003/42/i07/pdf/ic020607b.pdf

Christensen, A. N., Jensen, T. R., Scarlett, N. V. Y. & Madsen, I. C. (2003). In-situ X-ray powder diffraction studies of hydrothermal and thermal decomposition reactions of basic bismuth(III) nitrates in the temperature range 20-650C. Dalton Transaction, 16, 3278-3282. http://www.rsc.org/CFmuscat/intermediate_abstract.cfm?FURL=/ej/DT/2003/b303926a.PDF

Jakobsen, L. O., Nielsen, N. C. & Esmann, M. (2003). Interactions between cations and Na,K-ATPase membranes studied by solid-state NMR. New York Academy of Sciences. Annals, 986, 290-292.

Lillelund, V. H., Liu, H., Liang, X., Søhoel, H. & Bols, M. (2003). Isofagomine lactams, synthesis and enzyme inhibition. Organic and Biomolecular Chemistry, 1, 282-287. http://www.rsc.org/CFmuscat/intermediate_abstract.cfm?FURL=/ej/OB/2003/b208784g.PDF

Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2003). Linear response functions for coupled cluster/molecular mechanics including polarization interactions. Journal of Chemical Physics, 118, 1620-1633.

Friis, J., Madsen, G. K. H., Larsen, F. K., Jiang, B., Marthinsen, K. & Holmestad, R. (2003). Magnesium: Comparison of density functional theory calculations with electron and X-ray diffraction experiments. Journal of Chemical Physics, 119(21), 11359-11366.

Britz, D. & Britz, T. J. (2003). Mathematical proof of the consistency of Feldberg's simple BDF start in electrochemical digital simulations. Journal of Electroanalytical Chemistry, 546, 123-125.

Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2003). Molecular electric properties of liquid water calculated using the combined coupled cluster/molecular mechanics method. J. Mol. Struc. - Theochem., 632, 207-225.

Christiansen, O. (2003). Møller-Plesset perturbation theory for vibrational wave functions. Journal of Chemical Physics, 119, 5773-5781.

Nielsen, G., Malmendal, A., Meissner, A., Møller, J. V. & Nielsen, N. C. (2003). NMR studies of the fifth transmembrane segment of sarcoplasmic reticulum Ca₂+-ATPase reveals a hinge close to the Ca₂+ ligating residues. FEBS Letters, 544, 50-56.

Peronne, E., Poulsen, M. D., Bisgaard, C. Z., Stapelfeldt, H. & Seideman, T. (2003). Nonadiabatic alignment of asymmetric top molecules : Field free alignment of iodobenzene. Physical Review Letters, 91, 43003-43003.

Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2003). Non-linear optical response properties of molecules in condensed phases using the combined coupled cluster/dielectric continuum or molecular mechanics methods. Journal of Chemical Physics, 119, 10519-10535.

Sakai, H., Larsen, J. J., Wendt-Larsen, I., Olesen, J., Corkum, P. B. & Stapelfeldt, H. (2003). Nonsequential double ionization of D2 molecules with intense 20 fs pulses. Physical Review A, 67.

Coriani, S., Halkier, A., Jonsson, D., Gauss, J., Rizzo, A. & Christiansen, O. (2003). On the electric field gradient induced birefringence and electric quadrupole moment of co, n2o, and ocs. Journal of Chemical Physics, 118, 7329-7339.

Halland, N., Hansen, T. & Jørgensen, K. A. (2003). Organocatalytic Asymmetric Michael Reaction of Cyclic 1,3-Dicarbonyl Compounds and alpha,beta-Unsaturated Ketones - A Highly Atom-Economic Catalytic One-Step Formation of Optically Active WarfarinAnticoagulant. Angewandte Chemie International Edition, 42, 4955-4957. http://www3.interscience.wiley.com/cgi-bin/fulltext/105560549/HTMLSTART

Jensen, S. K. (2003). Oxidative Stress and Free Radicals. J. Mol. Struc. - Theochem., 666, 387-392.

Poulsen, L., Zebger, I., Tofte, P., Klinger, M., Hassager, O. & Ogilby, P. R. (2003). Oxygen Diffusion in Bilayer Polymer Films. Journal of Physical Chemistry B, 107, 13885-13891.

Poulsen, L., Zebger, I., Klinger, M., Eldrup, M., Sommer-Larsen, P. & Ogilby, P. R. (2003). Oxygen Diffusion in Copolymers of Ethylene and Norbornene. Macromolecules, 36, 7189-7198.

Thomsen, C. L., Thøgersen, J., Madsen, D. & Keiding, S. R. (2003). Photolysis of Aqueous HOCl: Dissipation of fragment kinetic energy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 107, 3606-3611.

Viennois, R., Girard, L., Ravot, D., Terki, F., Charar, S., Tedenac, J. C., Paschen, S., Bentien, A. & Steglich, F. (2003). Physical properties of the skutterudites (Ce,La)Fe_4-xNi_xSb₁₂. International Conference on Thermoelectronics. Proceedings, 60-3.

Ivarsen, A., Thøgersen, J., Keiding, S. R. & Møller-Pedersen, T. (2003). Plastic particles at the LASIK interface. Invest. Ophth. Vis. Sci., 44, 2587-2590.

Bertram, H. C., Jakobsen, H. J., Andersen, H. J., Karlsson, A. H. & Engelsen, S. B. (2003). Post-mortem Changes in Porcine M. Longissimus Studied by Solid-State 13C Cross-Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Spectroscopy. Journal of Agricultural and Food Chemistry, 51, 2064-2069.

Hilligsøe, K. M., Paulsen, H. N., Mølmer, K., Thøgersen, J., Keiding, S. R. & Larsen, J. J. (2003). Pulse propagation in photonic crystal fibers. I Danish Physical Society Annual Meeting 2003 (s. 17-17)

Skovsen, E., Stapelfeldt, H., Juhl, S. & Mølmer, K. (2003). Quantum state tomography of dissociating molecules. Physical Review Letters, 91, 090406.

Marinescu, L., Thinggaard, J., I.B., T. & Bols, M. (2003). Radical Azidonation of Aldehydes. J. Org. Chem., 68, 9453-9455.

Christensen, A. N., Scarlett, N. V. Y., Madsen, I. C., Jensen, T. R. & Hanson, J. C. (2003). Real time study of cement and clinker phases hydration. Dalton Transaction, 8, 1529-1536. http://www.rsc.org/CFmuscat/intermediate_abstract.cfm?FURL=/ej/DT/2003/b301095n.PDF

Daasbjerg, K. & Sehested, K. (2003). Reduction of Substituted Benzenediazonium Salts by Hydrogen Atoms in Aqueous Acidic Solution Studied by Pulse Radiolysis. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 107, 4462-4469.

Kjeldsen, T. K., Bisgaard, C. Z., Madsen, L. B. & Stapelfeldt, H. (2003). Role of symmetry in strong-field ionization of molecules. Physical Review A, 68, 63407.

Garamus, V. M., Pedersen, J. S., Maeda, H. & Schurtenberger, P. (2003). Scattering from short stiff cylindrical micelles formed by fully ionized TDAO in NaCl/water solutions. Langmuir, 19, 3656-3665.

Zebger, I., Poulsen, L., Gao, Z., Andersen, L. K. & Ogilby, P. R. (2003). Singlet Oxygen Images of Heterogeneous Samples: Examining the Effect of Singlet Oxygen Diffusion across the Interfacial Boundary in Phase-Separated Liquids and Polymers. Langmuir, 19, 8927-8933.

Nielsen, U. G., Jakobsen, H. J. & Skibsted, J. (2003). Small 51V chemical shift anisotropy for LaVO4 from MQMAS and MAS NMR spectroscopy. Solid. State. Nucl. Mag., 23, 107-115. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6THK-482XGPC-1-24&_cdi=5285&_orig=browse&_coverDate=03%2F31%2F2003&_sk=999769998&view=c&w chp=dGLbVzb-zSkzV&_acct=C000034578&_version=1&_userid=642076&md5=ffb966e223f0e1c45cc61f8eac4024f2&ie=f.pdf

Carrotta, R., Arleth, L., Pedersen, J. S. & Bauer, R. (2003). Small-angle x-ray scattering studies of metastable intermediates of beta-lactoglobulin isolated after heat-induced aggregation. Biopolymers, 70, 377-390.

Riber, D. & Skrydstrup, T. (2003). SmI2-promoted Radical Addition of Nitrones to alpha,beta-Unsaturated Amides and Esters: Synthesis of gamma-Amino Acids Via a Nitrogen Equivalent to the Ketyl Radical. Org. Lett., 5, 229-231.

Blakskjær, P., Høj, B., Riber, D. & Skrydstrup, T. (2003). SmI2 Reduced Thioesters as Synthons of Unstable Acyl Radicals: Direct Synthesis of Potential Protease Inhibitors Via Intermolecular Radical Addition. Journal of the American Chemical Society, 125, 4030-4031.

Bjerring, M. & Nielsen, N. C. (2003). Solid-state NMR heteronuclear coherence transfer using phase and amplitude modulated rf irradiation at the Hartmann–Hahn sideband conditions. Chemical Physics Letters, 382, 671-678. https://doi.org/10.1016/j.cplett.2003.10.120

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Institut for Kemi