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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Siminovitch, D., Untidt, T. S. & Nielsen, N. C. (2004). Exact effective Hamiltonian theory. II: Expansion of matrix functions and entangled unitary exponential operators. Journal of Chemical Physics, 120, 51-66.
Thøgersen, J., Jensen, S. K., Christiansen, O. & Keiding, S. R. (2004). Fast photodynamics of aqueous formic acid. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 37(108), 7483-7489.
Klopper, W., Coriani, S., Helgaker, T. & Jørgensen, P. (2004). First-order relativistic corrections to response properties: the hyperpolarizability of the Ne atom. Journal of Physics B: Atomic, Molecular and Optical Physics, 37, 3753-3763.
Rasmussen, T. D. & Jensen, F. (2004). Force field modelling of conformational energies. Molecular Simulation, 30(11-12), 801-806. https://doi.org/10.1080/0892702042000270188
Christensen, A. N., Jensen, T. R. & Hanson, J. C. (2004). Formation of ettringite, Ca6Al2(SO4)3(OH)12.26H2O, AFt, and monosulfate, Ca4Al2O6(SO4).14H2O, AFm-14, in hydrothermal hydration of Portland cement and of calcium aluminum oxidecalcium sulfate dihydratemixtures studied by in situ synchrotron X-ray powder diffraction. Journal of Solid State Chemistry, 177(6), 1944-1951.
Pawlowski, F., Jørgensen, P. & Hättig, C. (2004). Gauge invariance of oscillator strenghts in the approximate coupled cluster triples model CC3. Chemical Physics Letters, 389, 413-420.
Jørgensen, K. A. (2004). Hetero-Diels-Alder Reactions of Ketones - A Challenge for Chemists. European Journal of Organic Chemistry, 2093.
Jørgensen, K. A. (2004). Hetero-Diels-Alder Reactions of Ketones - A Challenge for Chemists. European Journal of Organic Chemistry, 2093.
Stutwolf, J. & Britz, D. (2004). Higher-order spatial discretisations in electrochemical digital simulations. Part 5: Application to stationary ultramicrodisc electrode simulation. Journal of Electroanalytical Chemistry, 566, 15-23.
Jacobsen, M. F., Ionita, L. & Skrydstrup, T. (2004). Highly Diastereoselective Mannich-Type Reactions of Chiral N-Acylhydrazones. J. Org. Chem., 69, 4792-4796.
Halland, N., Aburel, P. S. & Jørgensen, K. A. (2004). Highly Enantio- and Diastereoselective Organocatalytic Asymmetric Domino Michael-Aldol Reaction of beta-Ketoesters and alpha,beta-Unsaturated Ketones. Angewandte Chemie International Edition, 43, 1272-1277.
Pulkkinen, J., Aburel, P. S., Halland, N. & Jørgensen, K. A. (2004). Highly Enantio- and Diastereoselective Organocatalytic Domino Michael-Aldol Reactions of beta-Diketone and beta-Ketosulfone Nucleophiles with alpha,beta-Unsaturated Ketones. Advanced Synthesis & Catalysis, (346), 1077-1080.
Marigo, M., Bachmann, S., Halland, N., Braunton, A. & Jørgensen, K. A. (2004). Highly Enantioselective Direct Organocatalytic alpha-Chlorination of Ketones. Angewandte Chemie International Edition, 43, 5507-5510.
Jørgensen, J.-E., Marshall, W. G., Smith, R. I., Staun Olsen, J. & Gerward, L. (2004). High-pressure neutron powder diffraction study of the Im-3 phase of ReO3. J. Appl. Crystallogr., 37, 857-861.
Christensen, A. N., Jensen, T. R., Scarlett, N. V. Y., Madsen, I. C. & Hanson, J. C. (2004). Hydrolysis of Pure Calcium Aluminates and of Cement Clinker Components Investigated by in-situ Synchrotron X-ray Powder Diffraction. J. Am. Ceram. Soc., (87), 1488-1493.
Vosegaard, T. & Nielsen, N. C. (2004). Improved pulse sequences for pure exchange solid-state NMR spectroscopy. Magn. Reson. Chem., 42(2), 285-290.
Kehlet, C. T., Sivertsen, A. C., Bjerring, M., Reiss, T. O., Khaneja, N., Glaser, S. J. & Nielsen, N. C. (2004). Improving Solid-State NMR Dipolar Recoupling by Optimal Control. Journal of the American Chemical Society, 126, 10202-10203.
Fantner, G. E., Birkedal, H., Kindt, J. H., Hassenkam, T., Weaver, J. C., Cutroni, J. A., Bosma, B. L., Bawazer, L., Finch, M. M., Cidade, G. A. G., Morse, D. E., Stucky, G. D. & Hansma, P. K. (2004). Influence of the degradation of the organic matrix on the microscopic fracture behavior of trabecular bone. Bone, 35, 1013-1022.
Sloth, M., Bilde, M. & Mikkelsen, K. V. (2004). Interaction energies between aerosol precursors formed in the photo-oxidation of a-pinene. Molecular Physics, (102), 2361-2368.
Cargnoni, F., Nishibori, E., Rabiller, P., Bertini, L., Snyder, G. J., Christensen, M., Gatti, C. & Iversen, B. B. (2004). Interstitial Zn Atoms Do the Trick in Thermoelectric Zinc Antimonide, Zn4Sb3: A Combined Maximum Entropy Method X-ray Electron Density and Ab Initio Electronic Structure Study. Chemistry: A European Journal, 10, 3861-3870.
Stapelfeldt, H. (2004). Laser aligned molecules: Applications in physics and chemistry. Physica Scripta, T110, 132.
Enemærke, R. J., Larsen, J., Skrydstrup, T. & Daasbjerg, K. (2004). Mechanistic Investigation of the Electrochemical Reduction of Cp2TiCl2. Organometallics, 23, 1866-1874.
McKenna, B. J., Birkedal, H., Bartl, M. H., Denning, J. & Stucky, G. D. (2004). Micrometer-Sized Spherical Assemblies of Polypeptides and Small Molecules by Acid-Base Chemistry. Angewandte Chemie International Edition, 43, 5652-5655.
Bachmann, S., Knudsen, K. R. & Jørgensen, K. A. (2004). Mimicking enzymatic transaminations: attempts to understand and develop a catalytic asymmetric approach to chiral alpha-amino acids. Organic & Biomolecular Chemistry, 2, 2044-2049.
Gothelf, K. V., Thomsen, A., Nielsen, M., Cló, E. & Brown, R. S. (2004). Modular DNA-programmed assembly of linear and branched conjugated nanostructures. J. Amer. Chem. Soc., 126, 1044-1046.
Gothelf, K. V., Thomsen, A., Nielsen, M., Clo, E. & Brown, R. S. (2004). Modular DNA-Programmed Assembly of Linear and Branched Conjugated Nanostructures. Journal of the American Chemical Society, 126, 1044-1046.
Pan, Y., Birkedal, H., Pattison, P., Brown, D. & Chapuis, G. (2004). Molecular Dynamics Study of Tryptophylglycine: A Dipeptide Nanotube with Confined Water. J. Phys. Chem. B., 108, 6458-6466.
Cannavacciuolo, L. & Pedersen, J. S. (2004). Moments and distribution function of polyelectrolyte chains. Journal of Chemical Physics, 120(18), 8862-8865.
Svaneborg, C. & Pedersen, J. S. (2004). Monte Carlo simulations and analysis of scattering from neutral and polyelectrolyte polymer and polymer-like systems. Current Opinion in Colloid & Interface Science, 8(6), 507-514. https://doi.org/10.1016/j.cocis.2004.01.001
Poulsen, M. D., Péronne, E., Stapelfeldt, H., Bisgaard, C., Viftrup, S., Hamilton, E. & Seideman, T. (2004). Nonadiabatic alignment of asymmetric top molecules: Rotational revivals. Journal of Chemical Physics, 121, 783-791.
Péronne, E., Poulsen, M. D., Stapelfeldt, H., Bisgaard, C. Z., Hamilton, H. & Seideman, T. (2004). Nonadiabatic laser-induced alignment of iodobenzene molecules. Physical Review A, 70, 63410-63411.
Bisgaard, C., Poulsen, M. D., Peronne, E., Viftrup, S. & Stapelfeldt, H. (2004). Observation of enhanced field-free molecular alignment by two laser pulses. Phys. Rev. Lett. 173004, 92, 1-4.
Svith, H., Jensen, H., Almstedt, J., Andersson, P., Lundbäck, T., Daasbjerg, K. & Jonsson, M. (2004). On the Nature of Solvent Effects on Redox Properties. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 108, 4805-4811.
Acocella, M. R., Mancheño García, O., Bella, M. & Jørgensen, K. A. (2004). Organocatalytic Asymmetric Hydroxylation of beta-Keto Esters: Metal-Free Synthesis of Optically Active anti-Diols. J. Org. Chem., 69, 8165-8167.
Bella, M. & Jørgensen, K. A. (2004). Organocatalytic Enantioselective Conjugate Addition to Alkynones. Journal of the American Chemical Society, 126.
Vorkamp, K., Christensen, J. H., Glasius, M. & Riget, F. F. (2004). Persistent halogenated compounds in black guillemots (Cepphus grylle) from Greenland – levels, compound patterns and spatial trends. Marine Pollution Bulletin, 48(1-2), 111-121. https://doi.org/10.1016/S0025-326X(03)00369-2
Ivarsen, A., Thøgersen, J., Keiding, S. R. & Møller-Pedersen, T. (2004). Plastic particles at the LASIK interface. Ophthalmology, 111, 18-23.
Jensen, F. & Helgaker, T. (2004). Polarization consistent basis sets. V. The elements Si-Cl. Journal of Chemical Physics, 121(8), 3463-3470. https://doi.org/10.1063/1.1756866
Schneider, T., Jensen, K. A., Clausen, P. A., Afshari, A., Gunnarsen, L., Wåhlin, P., Glasius, M., Palmgren, F., Nielsen, O. J. & Fogh, C. L. (2004). Prediction of indoor concentration of 0.5–4 μm particles of outdoor origin in an uninhabited apartment. Atmospheric Environment, 38(37), 6349-6359. https://doi.org/10.1016/j.atmosenv.2004.08.002
Larsen, J., Rasmussen, B. S., Hazell, R. G. & Skrydstrup, T. (2004). Preparation of a novel diphosphine-palladium macrocyclic complex possessing a molecular recognition site. Oxidative addition studies. Chemical Communications, 202-203.
Johannesen, S. A., Albu, S., Hazell, R. G. & Skrydstrup, T. (2004). Radical addition of nitrones to acrylates mediated by SmI2: asymmetric synthesis of α-amino acids employing carbohydrate-based chiral auxilliaries. Chemical Communications, 1962-1963.
Bieniasz, L. K. & Britz, D. (2004). Recent developments in digital simulation of electroanalytical experiments. Polish Journal of Chemistry, 78, 1195-1219.
Shipovskov, S., Ferapontova, E. E., Gazaryan, I. & Ruzgas, T. (2004). Recombinant horseradish peroxidase- and cytochrome c-based two-electrode system for detection of superoxide radicals. Bioelectrochemistry, 63(1-2), 277-280. https://doi.org/10.1016/j.bioelechem.2003.09.026
Britz, D., Poulsen, K. & Strutwolf, J. (2004). Reference values of the diffusion-limited current at a disk electrode. Electrochimica Acta, 50, 107-113.
Dietz, R., Riget, F., Hobson, K. A., Heide-Jørgensen, M. P., Møller, P., Cleemann, M., de Boer, J. & Glasius, M. (2004). Regional and inter annual patterns of heavy metals, organochlorines and stable isotopes in narwhals (Monodon monoceros) from West Greenland. Science of the Total Environment, 331(1-3), 83-105. https://doi.org/10.1016/j.scitotenv.2004.03.041
Enemærke, R. J., Larsen, J., Skrydstrup, T. & Daasbjerg, K. (2004). Revelation of the Nature of the Reducing Species in Titanocene Halide Promoted Reductions. Journal of the American Chemical Society, 126, 7853-7864.
Castelletto, V., Hamley, I. W., Xue, W., Sommer, C., Pedersen, J. S. & Olmsted, P. D. (2004). Rheological and structural characterization of hydrophobically modified polyacrylamide solutions in the semidilute regime. Macromolecules, 37(4), 1492-1501.
Pedersen, J. S. & Schurtenberger, P. (2004). Scattering functions of semidilute solutions of polymers in a good solvent. Journal of Polymer Science. Part B, Polymer Physics, 42, 3081-3094.
Lipschutz, B. H., Frieman, B. & Birkedal, H. (2004). Scavenging and Reclaiming Phosphines Associated with Group 10 Metal-Mediated Couplings. Org. Lett., 6, 2305-2308.
Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2004). Second harmonic generation second hyperpolarizability of water calculated using the combined coupled cluster dielectric continuum or different molecular mechanics methods. Journal of Chemical Physics, 120, 3787-3798.

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Revideret 24.09.2025
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Institut for Kemi