Publikationer

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Publikationer fra Institut for Kemi

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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

Bjerring, M. & Nielsen, N. C. (2003). Solid-state NMR heteronuclear dipolar recoupling using off-resonance symmetry-based pulse sequences. Chemical Physics Letters, 370, 496-503.

Hazell, A., Hazell, R., McKenzie, C. J. & Nielsen, L. P. (2003). Stepwise construction of mono-, di- and tri-nuclear 2:1, 1:2, 2:3 ligand: mixed-metal complexes using a bis-tridentate bridging ligand. Dalton Transactions , 2203-2208.

Jensen, H. H. & Bols, M. (2003). Steric Effects are not the Cause of the Rate Difference in Hydrolysis of Stereoisomeric Glycosides. Org. Lett., 5, 3419-3421.

Kjærsbo, T., Daasbjerg, K. & Pedersen, S. U. (2003). Study of the coupling reaction between electrochemically generated aromatic radical anions and methyl, alkyl and benzyl radicals. Electrochimica Acta, 48, 1807-1816.

Jensen, T. R., Kjaer, K., Brezesinski, G., Ruiz-Garcia, J., Möhwald, H., Makarova, N. N. & Godovsky, Y. K. (2003). Successive Multilayer Formation of Cyclolinear Polyorganosiloxanes Floating at the Air-Water Interface. A Synchrotron X-ray Reflectivity Investigation. Macromolecules, 36, 7236-7243. http://pubs.acs.org/cgi-bin/abstract.cgi/mamobx/2003/36/i19/abs/ma034473c.html

Goldbach, A., Fayon, F., Vosegaard, T., Wachhold, M., Kanatzidis, M. G., Massiot, D. & Saboungi, M.-L. (2003). ⁷⁷Se and ⁸⁷Rb solid state NMR study of the structure of Rb₂[Pd(Se₄)₂]^.Se₈. Inorganic Chemistry, 42, 6996-7000.

Høyer, B. & Jensen, N. (2003). Suppression of protein interferences in anodic stripping voltammetry by sodium dodecyl sulphate. Electrochemistry Communications, 5, 257-261.

Høyer, B. & Jensen, N. (2003). Suppression of surfactant interferences in anodic stripping voltammetry by sodium dodecyl sulfate. Electrochemistry Communications, 5, 759-764.

Larsen, F. K., McInnes, E. J. L., El Mkani, H., Overgaard, J., Piligkos, S., Rajaraman, G., Rentschler, E., Smith, A. A., Smith, G. M., Boote, V., Jennings, M., Timco, G. A. & Winpenny, R. E. P. (2003). Synthesis and Characterization of Heterometallic {Cr7M} Wheels. Angewandte Chemie International Edition, 42, 101-105.

Ulgar, V., Lopez, O., Maya, I., Fernandez-Bolanos, J. G. & Bols, M. (2003). Synthesis of furan 4'-thio-C-nucleosides, their methylsulfonium and sulfoxide derivatives. Evaluation as glycosidase inhibitors. Tetrahedron, 59, 2801-2809. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6THR-48740CM-M-Y&_cdi=5289&_orig=browse&_coverDate=04%2F14%2F2003&_sk=999409983&view=c&wc hp=dGLbVlb-zSkzk&_acct=C000034578&_version=1&_userid=642076&md5=df98744a90fac1e638195e9eaada34b6&ie=f.pdf

Mikkelsen, L. & Skrydstrup, T. (2003). Synthesis of the C-Linked Disaccharide alpha-D-Man-(1-4)-D-Man Employing a SmI2-Mediated C-Glycosylation Step: Enroute to Cyclic C-Oligosaccharide. J. Org. Chem., 68, 2123-2128.

Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2003). The coupled cluster/molecular mechanics method: Implementation and application to liquid water. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 107, 2578-2588.

Larsen, R. W., Pawlowski, F., Hegelund, F., Jørgensen, P., Gauss, J. & Nelander, B. (2003). The equilibrium structure of trans-glyoxal from experimental rotational constants and calculated vibration-rotation interaction constants. Physical Chemistry Chemical Physics, 5, 5031-5037.

Saaby, S., Nakama, K., Lie, M. A., Hazell, R. G. & Jørgensen, K. A. (2003). The First Catalytic Highly Enantioselective Alkylation of Ketimines - A Novel Approach to Optically Active Quaternary alpha-Amino Acids. Chemistry - A European Journal, 9, 6145-6154.

Juhl, K. & Jørgensen, K. A. (2003). The First Organocatalytic Enantioselective Inverse-Electron-Demand Hetero-Diels-Alder Reaction. Angewandte Chemie International Edition, 42, 1498-1501.

Holm, A. H., Yusta, L., Carlqvist, P., Brinck, T. & Daasbjerg, K. (2003). Thermochemistry of Arylselanyl Radicals and the Pertinent Ions in acetonitrile. Journal of the American Chemical Society, 125, 2148-2157.

Pedersen, J. S. & Gerstenberg, M. C. (2003). The structure of P85 Pluronic block copolymer micelles determined by small-angle neutron scattering. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 213, 175-187.

Hansen, S. G., Frøhlich, R. F. & Knudsen, B. R. (2003). Type IB topoisomerases and tyrosine recombinases - distinct functions within related structural frameworks. Current Topics in Biochem. Res., 5, 149-159.

Giavani, T., Johannsen, K., Jacobsen, C. J. H., Blom, N., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2003). Unusual observation of nitrogen chemical shift anisotropies in tetraalkylammonium halides by 14N MAS NMR spectroscopy. Solid. State. Nucl. Mag., 24, 218-235. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6THK-48PVK5B-1-1B&_cdi=5285&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999759995&view=c&wc hp=dGLbVzz-zSkzS&_acct=C000034578&_version=1&_userid=642076&md5=3a535fe0a7f6b6ebbcc87a84a3d2c675&ie=f.pdf

Madsen, D., Larsen, J., Jensen, S. K., Thøgersen, J. & Keiding, S. R. (2003). UV Photolysis of the aqueous nitrate ion. Journal of the American Chemical Society, 125, 15571-15576.

Christiansen, O. (2003). Vibrational coupled cluster theory. Journal of Chemical Physics, 120, 2149-2159.

Boye, S., Krogh, H., Nielsen, I. B., Nielsen, S. B., Pedersen, S. U., Pedersen, U. V., Andersen, L. H., Bell, A. F., He, X. & Tonge, P. J. (2003). Vibrationally resolved photoabsorption spectroscopy of red fluorescent protein chromophore anions. Physical Review Letters, 90, 118103.

Jensen, T. R., Jensen, M. Ø., Reitzel, N., Balashev, K., Peters, G. H., Kjaer, K. & Bjørnholm, T. (2003). Water in Contact with Extended Hydrophobic Surfaces: Direct Evidence of Weak Dewetting. Physical Review Letters, 90, 861011-861014.

Jakobsen, H. J., Bildsøe, H., Skibsted, J., Giavani, T., Fraissard, J. (red.) & Lapina, O. (red.) (2002). 14N MAS NMR Spectroscopy: An Instrumental Challenge and Informatory Technique. I Magnetic Resonance in Colloid and Interface Science (s. 43-55). Kluwer Academic Publishers.

Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2002). 14N MAS NMR spectroscopy and quadrupole coupling data in characterization of the IV <-> III phase transition in ammonium nitrate. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 106, 3026-3032.

Nielsen, U. G., Jakobsen, H. J., Skibsted, J., Fraissard, J. (red.) & Lapina, O. (red.) (2002). 51V MAS NMR Studies of Inorganic Vanadates with Very Small and Large Chemical Shift Anisotropies. I Magnetic Resonance in Colloid and Interface Science (s. 597-602). Kluwer Academic Publishers.

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Institut for Kemi