Publikationer

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Publikationer fra Institut for Kemi

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Knudsen, K. R., Bachmann, S. & Jørgensen, K. A. (2003). Catalytic enantioselective transaminiation of -keto esters: an organic approach to enzymatic reactions. Chemical Communications, 20, 2602-2603. http://pubs.rsc.org/ej/CC/2003/b308395k.pdf?&VOLNO=&Yr=2003&Fp=&Ep=&JournalCode=CC&Iss=Advance_Article

Marigo, M., Juhl, K. & Jørgensen, K. A. (2003). Catalytic, Highly Enantioselective, Direct Amination of beta-Ketoesters. Angewandte Chemie International Edition, 42, 1367-1369.

Osted, A., Kongsted, J., Mikkelsen, K. V. & Christiansen, O. (2003). Cc2 dielectric continuum and cc2/molecular mechanics models. Journal of Chemical Physics, 101, 2055-2071.

Poulsen, L., Ruiz, A. Z., Pedersen, S. U. & Ogilby, P. R. (2003). Characterizing the Behavior and Properties of an Excited Electronic State: Electron-Transfer Mediated Quenching of Fluorescence. J. Chem. Edu., 80, 819-821.

Madsen, G. K. H. & Blaha, P. (2003). Collapse of the antiferromagnetic ground state in the alkali-metal electrosodalites. Physical Review B, 67.

Ruden, T. A., Helgaker, T., Jørgensen, P. & Olsen, J. (2003). Coupled-cluster connected-quadruples corrections to atomization energies. Chemical Physics Letters, 371, 62-67.

Britz, D., Østerby, O. & Strutwolf, J. (2003). Damping of Crank-Nicolson error oscillations. Computational Biology and Chemistry, 27, 253-263.

Britz, D., Østerby, O. & Strutwolf, J. (2003). Damping of Crank–Nicolson error oscillations. Computational Biology and Chemistry, 27(3), 253-263. https://doi.org/10.1016/S0097-8485(02)00075-X

Zebger, I., Goikoetxea, A. B., Jensen, S. & Ogilby, P. R. (2003). Degradation of Vinyl Polymer Films upon Exposure to Chlorinated Water: The Pronounced Effect of a Sample's Thermal History. Polym Degrad Stabil, 80, 293-304.

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

Britz, D. (2003). Digital Simulation in Electroanalytical Chemistry. I A. J. Bard, M. Stratmann & P. R. Unwin (red.), Encyclopedia of Electrochemistry (Bind 3, s. 51-71). Wiley.

Halland, N., Velgaard, T. & Jørgensen, K. A. (2003). Direct Asymmetric Michael Reactions of Cyclic 1,3-Dicarbonyl Compounds and Enamines Catalyzed by Chiral Bisoxazoline-Copper(II) Complexes. J. Org. Chem., 68, 5067-5074.

Marigo, M., Kjærsgaard, A., Juhl, K., Gathergood, N. & Jørgensen, K. A. (2003). Direct Catalytic Asymmetric Mannich Reactions of Malonates and beta-Keto Esters. Chemistry - A European Journal, 9, 2359-2367.

Melchiorre, P. & Jørgensen, K. A. (2003). Direct Enantioselective Michael Addition of Aldehydes to Vinyl Ketones Catalyzed by Chiral Amines. J. Org. Chem., 68, 4151-4157.

Kareiva, A., Mathur, S., Jørgensen, J.-E. & Tautkus, S. (2003). Effect of strontium substitution on superconductivity in YBa2Cu4O8. Philos. Mag., 83, 1917-1927.

Christensen, B., Jürgen, D., Thomasen, T., Daasbjerg, K. & Pedersen, S. U. (2003). Electrochemical Studies of the Electron Transfer Induced Isomerisation of cis-stilbene. I Ikke angivet The International Society of Electrochemistry.

Overgaard, J., Larsen, F. K., Schiøtt, B. & Iversen, B. B. (2003). Electron Density Distributions of Redox Active Mixed Valence Carboxylate Bridged Trinuclear Iron Complexes. Journal of the American Chemical Society, 125, 11088-11099.

Madsen, G. K. H., Schwarz, K., Blaha, P. & Singh, D. J. (2003). Electronic structure and transport in type-I and type-VIII clathrates containing strontium, barium, and europium. Physical Review B, 68.

Bjerring, M., Rasmussen, J. T., Krogshave, R. S. & Nielsen, N. C. (2003). Heteronuclear coherence transfer in solid-state NMR using a gamma-encoded transferred echo experiment. Journal of Chemical Physics, 119, 8916-8926. https://doi.org/10.1063/1.1613933

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. https://doi.org/10.1016/S0009-2614(03)00103-9

Overgaard, J., Hibbs, D. E., Rentschler, E., Timco, G. A. & Larsen, F. K. (2003). Experimental and Theoretical Electron Density Distribution and Magnetic Properties of the Butterfly-like Complex [Fe4(O2(O2CCMe3)8(NC5H4Me)2]2CH3CN. Inorganic Chemistry, 42, 7593-7601.

Antonello, S., Daasbjerg, K., Jensen, H., Taddei, F. & Maran, F. (2003). Formation and Cleavage of Aromatic Disulfide Radical Anions. Journal of the American Chemical Society, 125, 14905-14916.

van Linge, H. L., Zhuang, W., Hansen, T., Rutjes, F. P. J. T. & Jørgensen, K. A. (2003). Formation of optically active chromanes by catalytic asymmetric tandem oxa-Michael addition-Friedel-Crafts alkylation reactions. Organic and Biomolecular Chemistry, 1, 1953-1958. http://www.rsc.org/CFmuscat/intermediate_abstract.cfm?FURL=/ej/OB/2003/b303353h.PDF

Bøgevig, A., Poulsen, T. B., Zhuang, W. & Jørgensen, K. A. (2003). Formation of Optically Active Functionalized beta-Hydroxy Nitrones Using a Proline Catalyzed Aldol Reaction of Aldehydes with Carbonyl Compounds and Nydroxylamines. SYNLETT: Accounts and Rapid Communications in Chemical Synthesis, 12, 1915-1918.

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.

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