Institut for Kemi

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Institut for Kemi er et af de mest produktive institutter på Aarhus Universitet. Der udgives et væld af artikler i videnskabelige tidsskrifter, som du finder herunder.

Publikationer fra Institut for Kemi

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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).
Mikkelsen, L. M., Hernaiz, M. J., Martin-Pastor, M., Skrydstrup, T. & Jimenez-Barbero, J. (2002). Conformation of Glycomimetics in the Free and Protein-Bound State: Structural and Binding Features of the C-glycosyl Analogue of the Core Trisaccharide alpha-D-Man-(1-3)-[alpha-D-Man-(1-6)]-D-Man. Journal of the American Chemical Society, 124, 14940-14951.
Christensen, C., Juhl, K., Hazell, R. G. & Jørgensen, K. A. (2002). Copper-Catalyzed Enantioselective Henry Reactions of alpha-Keto Esters: An Easy Entry to Optically Active beta-Nitro-alpha-hydroxy Esters and beta-Amino-alpha-hydroxy Esters. Journal of Organic Chemistry, 67, 4875-4881.
Sljivancanin, Z., Gothelf, K. V. & Hammer, B. (2002). Density Functional Theory Study of Enantiospecific Adsorption at Chiral Surfaces. Journal of the American Chemical Society, 124, 14789-14794.
Bøgevig, A., Kumaragurubaran, N. & Jørgensen, K. A. (2002). Direct Catalytic Asymmetric Aldol Reactions of Aldehydes. Chemical Communications, 6, 620-621.
Kumaragurubaran, N., Juhl, K., Zhuang, W., Bøgevig, A. & Jørgensen, K. A. (2002). Direct L-Proline Catalyzed Asymmetric alpha-Amination of Ketones. Journal of the American Chemical Society, 124, 6254-6255.
Bøgevig, A., Kumaragurubaran, N., Juhl, K., Zhuang, W. & Jørgensen, K. A. (2002). Direct Organo-Catalytic Asymmetric alpha-Amination of Aldehydes - A simple Approach to Optically Active alpha-Amino Aldehydes, alpha-Amino Alcohols, and alpha-Amino Acids. Angewandte Chemie International Edition, 41, 1790-1793.
Dam, N., Keszthelyi, T., Andersen, L. K., Mikkelsen, K. V. & Ogilby, P. R. (2002). Effect of Solvent on the O2(a¹Δg) → O2(b¹Σg+) Absorption Spectrum: Demonstrating the Importance of Equilibrium vs Nonequilibrium Solvation. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106, 5263-5270.
Nielsen, M., Larsen, N. B. & Gothelf, K. V. (2002). Electron Transfer Reactions of Self-Assembled Monolayers of Thio(Phenylacetylene)n-Substituted Chiral Metal-Salen Complexes. Langmuir, 18, 2795-2799.
Bols, M., Liang, X. & Jensen, H. H. (2002). Equatorial Contra Axial Polar Substituents. The Relation of a Chemical Reaction to Stereochemical Substituent Constants. Journal of Organic Chemistry, 67, 8970-8974.
Laursen, B., Denieul, M.-P. & Skrydstrup, T. (2002). Formal total synthesis of the PKC inhibitor, balanol: preparation of the fully protected benzophenone fragment. Tetrahedron, 58, 2231-2238.
Svaneborg, C. & Pedersen, J. S. (2002). Form factors of block copolymer micelles with excluded-volume interactions of the corona chains determined by Monte Carlo simulations. Macromolecules, 35, 1028-1037.
Zhuang, W. & Jørgensen, K. A. (2002). Friedel-Crafts Reactions in Water of Carbonyl Compounds with Heteroaromatic Compounds. Chemical Communications, 6, 1336-1337.
Britz, D., Østerby, O., Strutwolf, J. & Svennesen, T. K. (2002). High-order spatial discretisations in electrochemical digital simulations. 3. Combination with the Runge-Kutta algorithm. Computers & Chemistry, 26, 97-103.
Jakobsen, J. M., Madsen, G. K. H., Jørgensen, J.-E., Staun Olsen, J. & Gerward, L. (2002). High pressur behaviour of TbN: an X-ray diffraction and computational study. Solid State Communications, 121, 447-452.
Nissen, S., Hegelund, F., Johnson, M. S. & Nelander, B. (2002). High-Resolution Infrared Study of the nu11 Band of Allene. Journal of Molecular Spectroscopy, 216, 197-202.
Overgaard, J., Iversen, B. B., Palii, S., Timco, G. A., Gerbeleu, N. V. & Larsen, F. K. (2002). Host-Guest Chemistry of the Chromium-Wheel Complex [Cr8F8(tBuCO2)16]: Prediction of Inclusion Capabilities by Using an Electrostatic Potential Distribution Determined by Modeling Synchrotron X-ray StructureFact. Chemistry - A European Journal, 8, 2775-2786.
Hensel, V., Godt, A., Popovitz-Biro, R., Cohen, H., Jensen, T. R., Kjaer, K., Weissbuch, I., Lifshitz, E. & Lahav, M. (2002). Hybrid Composites of monodisperse p-conjugated Rod-like organic compounds and semiconductor Quantum Particles. Chemistry - A European Journal, 8, 1413-1423.
Jensen, T. R., Hazell, R. G., Christensen, A. N. & Hanson, J. C. (2002). Hydrothermal Synthesis of Lithium Zinc Phosphates: Structural Investigation of Twinned alpha-Li4Zn(PO4)2 and a High Temperature Polymorph beta-Li4Zn(PO4)2. Journal of Solid State Chemistry, 166, 341-351.
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.
Skovsen, E., Machholm, M., Ejdrup, T., Thøgersen, J. & Stapelfeldt, H. (2002). Imaging and control of interfering wavepackets in a dissociating molecule. Physical Review Letters, 89.
Hald, K., Jørgensen, P., Christiansen, O. & Koch, H. (2002). Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections. Journal of Chemical Physics, 116, 5963-5970.
Pedersen, J. S., Lindner, P. (red.) & Zemb, T. (red.) (2002). Instrumentation for Small-Angle X-ray and Neutron Scattering and Instrumental Smearing Effects. I Neutrons, X-Rays and Light (s. 127-144). Elsevier.
Muldgaard, L., Thomsen, I. B., R.G., H. & Bols, M. (2002). Investigation of the Base promoted Tandem syn elimination-Favorskii rearrangement of Levoglucosane Sulfonates. Journal of the Chemical Society, Perkin Transactions 1, 1297-1301.
Poulsen, T. D., Ogilby, P. R. & Mikkelsen, K. V. (2002). Linear Response Properties for Solvated Molecules Described by a Combined Multiconfigurational Self-Consistent Field/Molecular Mechanics Model. Journal of Chemical Physics, 116, 3730-3738.
Ronne, C. & Keiding, S. R. (2002). Low frequency spectroscopy of liquid water using THz-time domain spectroscopy. Journal of Molecular Liquids, 101, 199-218.
Bentien, A., Iversen, B. B., Bryan, J. D., Stucky, G. D., Palmqvist, A. E. C., Schultz, A. J. & Henning, R. W. (2002). Maximum entropy method analysis of thermal motion and disorder in thermoelectric clathrate Ba8Ga16Si30. Oyo Buturi, 91, 5694-5699.
Bürger, H., Demaison, J., Hegelund, F., Margules, L. & Merke, I. (2002). Microwave, millimeter-wave, and high-resolution FTIR study of SO2F2: the nu3, nu7, nu9 triad at 550 cm-1. Journal of Molecular Structure: THEOCHEM, 612, 133-141.
Pedersen, J. S., Lindner, P. (red.) & Zemb, T. (red.) (2002). Modelling of Small-Angle Scattering Data from Colloids and Polymer Systems. I Neutrons, X-Rays and Light (s. 391-420). Elsevier.
Pawlowski, F., Jørgensen, P., Olsen, J., Hegelund, F., Helgaker, T., Gauss, J., Bak, K. L. & Stanton, J. F. (2002). Molecular equilibrium structures from experimental rotational constants and calculated vibration-rotation interaction constants. Journal of Chemical Physics, 116, 6482-6496.
Cannavacciuolo, L., Pedersen, J. S. & Schurtenberger, P. (2002). Monte Carlo simulation study of concentration effects and scattering functions for polyelectrolyte wormlike micelles. Langmuir, 18, 2922-2932.
Pedersen, J. S., Lindner, P. (red.) & Zemb, T. (red.) (2002). Monte Carlo Simulation Techniques Applied in the Analysis of Small-Angle Scattering Data from Colloids and Polymer Systems. I Neutrons, X-Rays and Light (s. 381-390). Elsevier.
Overgaard, J., Rentschler, E., Timco, G. A., Gerbeleu, N. V., Arion, V., Bousseksou, A., Tuchagues, J. P. & Larsen, F. K. (2002). Multi-temperature X-ray diffraction, Mössbauer spectroscopy and magnetic susceptibility studies of a solvated mixed-valence trinuclear iron formate, [Fe3O(HCO2)6(NC5H4CH3)3].1.3. Dalton Transactions , 2981-2986.
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.
Bryan, J. D., Blake, N. P., Metiu, H., Stucky, G. D., Iversen, B. B., Poulsen, R. D. & Bentien, A. (2002). Nonstoichiometry and chemical purity effects in thermoelectric Ba8Ga16Ge30 clathrate. Oyo Buturi, 92, 7281-7290.
Iversen, B. B., Bentien, A., Bryan, J. D., Stucky, G. D., Palmqvist, A. E. C., Schultz, A. J. & Henning, W. (2002). Nuclear density analysis. The case of Ba8Ga16Si30. Materials Research Society Symposium Proceedings, 691, 445-450.
Skibsted, J., Hall, C. & Jakobsen, H. J. (2002). Nuclear magnetic resonance spectroscopy and magnetic resonance imaging of cements and cement-based materials. I J. Bensted & P. B. (red.), Structure and Performance of Cements (2. udg., s. 457-476). Spon press.
Bøgevig, A., Gothelf, K. V. & Jørgensen, K. A. (2002). Nucleophilic Addition of Nitrones to Ketones - Development of a new Catalytic Asymmetric Nitrone-Aldol Reaction. Chemistry - A European Journal, 8, 5652-5661.
Jensen, S. K. (2002). O-...HOH bond length in hydrates of the atomic oxygen radical anion. Journal of Molecular Structure: THEOCHEM, 578, 63-64.
Weissbuch, I., Bolbach, G., Zepik, H., Shavit, E., Tang, M., Frey, J., Jensen, T. R., Kjaer, K., Leiserowitz, L. & Lahav, M. (2002). Oligopeptides with homochiral sequences generated from racemic precursors that spontaneously separate into enantiomorphous two-dimensional crystalline domains on water surface. Journal of the American Chemical Society, 124, 9093-9104.
Thorhauge, J., Roberson, M., Hazell, R. G. & Jørgensen, K. A. (2002). On the Intermediates in Chiral Bis(oxazoline)copper(II)-Catalyzed Enantioselective Reactions - Experimental and Theoretical Investigations. Chemistry - A European Journal, 8, 1888-1898.
Saaby, S., Bayon, P., Aburel, P. S. & Jørgensen, K. A. (2002). Optically Active Aromatic and Heteroaromatic alpha-Amino Acids by a One-Pot Catalytic Enantioselective Addition of Aromatic and Heteroaromatic C-H Bonds to alpha-Imino Esters. Journal of Organic Chemistry, 67, 4352-4361.
Hald, K., Halkier, A., Jørgensen, P. & Coriani, S. (2002). Orbital nonrelaxed coupled cluster singles and doubles with perturbative triples corrections calculations of first-order one-electron properties. Journal of Chemical Physics, 117, 9983-9990.
Halland, N., Hazell, R. G. & Jørgensen, K. A. (2002). Organocatalytic Asymmetric Conjugate Addition of Nitroalkanes to alpha,beta-Unsaturated Enones Using Novel Imidazoline Catalysts. Journal of Organic Chemistry, 67, 8331-8338.
Jensen, M. Ø., Jensen, T. R., Kjaer, K., Bjørnholm, T., Mouritsen, O. G. & Peters, G. H. (2002). Orientation and Conformation of Lipase at an Interface Studied by Molecular Dynamics Simulations. Biophysical Journal, 83, 98-111.
Poulsen, M. D., Skovsen, E. & Stapelfeldt, H. (2002). Photodissociation of laser aligned iodobenzene : Towards selective photoexcitation. Journal of Chemical Physics, 117, 2097-2102.
Madsen, D., Larsen, J., Thøgersen, J. & Keiding, S. R. (2002). Photo-isomerization of small molecules in solution: Studies of ICN (aq) and NO-3 (aq). I Trends in Optics and Photonics (s. 257-258)
Cannavacciuolo, L. & Pedersen, J. S. (2002). Properties of polyelectrolyte chains from analysis of angular correlation functions. Journal of Chemical Physics, 117, 8973-8982.
Schiøtt, B. & Bruice, T. C. (2002). Reaction Mechanism of Soluble Epoxide Hydrolase: Insights from Molecular Dynamics Simulations. Journal of the American Chemical Society, 124, 14558-14570.
Lillelund, V., Jensen, H. H., Liang, X. & Bols, M. (2002). Recent Developments of Transition State Analogue Glycosidase Inhibitors of Non-Natural Product Origin. Chemical Reviews, 102, 515-553.

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Revideret 08.05.2026
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Institut for Kemi