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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Kehlet, C. T., Vosegaard, T., Khaneja, N., Glaser, S. J. & Nielsen, N. C. (2005). Low-power homonuclear dipolar recoupling in solid-state NMR developed using optimal control theory. Chemical Physics Letters, 414, 204-209.
Halland, N., Lie, M. A., Jensen, A. K. K., Schiøtt, B. & Jørgensen, K. A. (2005). Mechanistic Insight Into the 2,5-Diphenylpyrrolidine Catalyzed Enantioselctive &alpha-Chlorination of Aldehydes. Chemistry: A European Journal, 11, 7083.
Stiewe, C., Bertini, L., Toprak, M., Christensen, M., Platzek, D., Williams, S., Gatti, C., Müller, E., Iversen, B. B., Muhammed, M. & Rowe, M. (2005). Nanostructured Co1-xNix(Sb1-yTey)3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties. Journal of Applied Physics, 97, 044317-1-044317-7.
Jensen, T. R., Gérentes, N., Jepsen, J., Hazell, R. G. & Jakobsen, H. J. (2005). New Amine-Templated Zinc Phosphates with a Temperature-Induced Increase of Structural Dimensionality. Inorg. Chem., 44(3), 658.
Clausen, H. F., Poulsen, R. D., Bond, A. & Iversen, B. B. (2005). New Metal Organic Framework Structures in the Zinc-Dimethylformamide-Terephtalic Acid System. Journal of Solid State Chemistry, 178, 3336-3345.
Marigo, M., Schulte, T., Franzén, J. & Jørgensen, K. A. (2005). Novel Asymmetric Multi-Component-Domino Reactions and Highly Enantioselective Conjugate Addition of Thiols to &alpha,&beta-Unsaturated Aldehydes. Journal of the American Chemical Society, 127, 15710.
Hjarbæk Holm, A., Møller, R., Vase, K. H., Dong, M., Norrman, K., Besenbacher, F., Pedersen, S. U. & Daasbjerg, K. (2005). Nucleophilic and electrophilic displacements on covalently modified carbon: introducing 4,4-bipyridinium on grafted glassy carbon electrodes. New Journal of Chemistry, (29), 629-666.
Sivertsen, A. C., Bjerring, M., Kehlet, C. T., Vosegaard, T. & Nielsen, N. C. (2005). Numerical Simulations in Biological Solid-State NMR Spectroscopy. Ann. R. NMR. S., 54, 243-293.
Jensen, F. (2005). On the Accucary of Numerical Hartree-Fock Energies. Theor. Chem. Acc., 113, 187-190. https://doi.org/10.1007/s00214-004-0618-8
Gregersen, A., Pedersen, C. M., Jensen, H. H. & Bols, M. (2005). On the electronic effects from OH groups. Synthesis and investigation of tetrahydroxylated azabicycloheptanes. Organic & Biomolecular Chemistry, 3, 1514-1519.
Bertelsen, S., Halland, N., Bachmann, S., Marigo, M., Braunton, A. & Jørgensen, K. A. (2005). Organocatalytic Asymmetric &alpha-Bromination of Aldehydes and Ketones. Chemical Communications, 4821.
Zhuang, W., Marigo, M. & Jørgensen, K. A. (2005). Organocatalytic Asymmetric Epoxidation Reactions in Water-Alcohol Solutions. Organic & Biomolecular Chemistry, 3, 3883.
Frisch, K., Landa, A., Saaby, S. & Jørgensen, K. A. (2005). Organocatalytic Diastereo- and Enantioselective Annulation Reactions - Construction of Optically Active 1,2-Dihydro-Isoquinoline and Phthalazine Derivatives. Angewandte Chemie International Edition, 44, 6058.
Bella, M., Kobbelgaard, S. & Jørgensen, K. A. (2005). Organocatalytic Regio- and Asymmetric C-Selective SaNAr Reactions - Stereoselective Synthesis of Optically Active Spiro-pyrrolidione-3,3´-Oxoindoles. Journal of the American Chemical Society, 127, 3670.
Bertram, H. C., Jakobsen, H. J. & Nielsen, O. B. (2005). Origin of the high-frequency resonances in 1H NMR spectra of muscle tissue: an in vitro slow magic-angle spinning study. Journal of Agricultural and Food Chemistry, 53, 3229-3234.
Bertram, H. C., Jakobsen, H. J. & Nielsen, O. B. (2005). Origin of the High-Frequency Resonances in 1H NMR Spectra of Muscle Tissue: An in Vitro Slow Magic-Angle Spinning Study. Journal of Agricultural and Food Chemistry, 53, 3229-3234.
Zampieri, G., Lizzit, S., Pettacia, L., Goldoni, A., Baraldi, A., Bremholm, M., Gayone, J. E., Hoffmann, S. V. & Hofmann, P. (2005). Photoelectron diffraction study of the 6H-SiC (0001) √3X√3 R30° reconstruction. Physical Review B, 72, 165327.
Poulsen, R. D., Overgaard, J., Chevallier, M.-A. S., Clausen, H. F. & Iversen, B. B. (2005). Poly(sesqui(4-biphenyl-4,4'-dicarboxylato-4O:O':O'':O''')(diethylformamide-O)gadolinium). Acta Crystallographica Section E: Crystallographic Communications, 61, 2308-2310.
Jørgensen, J. M., Erlacher, K., Pedersen, J. S. & Gothelf, K. V. (2005). Preparation Temperature Dependence of Size and Polydispersity of Alkylthiol Monolayer Protected Gold Clusters. Langmuir, 21, 10320-10323.
Olsen, J., Jørgensen, P., Helgaker, T. & Oddershede, J. (2005). Quadratic Response Functions in a Second-Order Polarization Propagator Framework. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109, 11618-11628.
Carter, S. G., Birkedal, V., Wang, C. S., Coldren, L. A., Maslov, A. V., Citrin, D. S. & Sherwin, M. S. (2005). Quantum Coherence in an Optical Modulator. Kexue (Shanghai), 310, 651-653.
Britz, D., Poulsen, K. & Strutwolf, J. (2005). Reference values of the diffusion-limited chronoamperometric current at a microband electrode. Electrochimica Acta, 51, 333-339.
Hansen, M. R., Madsen, G. K. H., Jakobsen, H. J. & Skibsted, J. (2005). Refinement of Borate Structures from 11B MAS NMR Spectroscopy and Density Functional Theory Calculations of 11B Electric Field Gradients. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109(9), 1989-1997.
Hansen, A. L. & Skrydstrup, T. (2005). Regioselective Heck Couplings of alpha,beta-Unsaturated Tosylates and Mesylates with Electron-Rich Olefins. Organic Letters, 7, 5585-5587.
Christiansen, O. (2005). Response theory for vibrational wave functions. Journal of Chemical Physics, 122, 194105.
Bertelsen, S., Nielsen, M., Bachmann, S. & Jørgensen, K. A. (2005). Rhodium-Catalyzed Synthesis of &alpha-Amido- and &alpha-Carboxylic-&beta-Ketoesters. Synthesis, 2234.
Fantner, G. E., Hassenkam, T., Kindt, J. H., Weaver, J. C., Birkedal, H., Pechenik, L., Cutroni, J. A., Cidade, G. A. G., Stucky, G. D., Morse, D. E. & Hansma, P. K. (2005). Sacrifical bonds and hidden length dissipate energy as mineralized fibrils separate during bone fracture. Nature Materials, 4, 612-616.
Ebran, J. P., Hazell, R. G. & Skrydstrup, T. (2005). Samarium diiodide-induced intramolecular pinacol coupling of dinitrones: Synthesis of cyclic cis-vicinal diamines. Chemical Communications, 5402-5404.
Calderon, R. G., Barquin, L. F., Kaul, L. F., Sal, J. C. G., Gorria, P., Pedersen, J. S. & Heenan, R. K. (2005). Small-angle neutron scattering study of a magnetically inhomogeneous amorphous alloy with reentrant behavior. Physical Review B, 71, 1-9.
Andresen, E. R., Thøgersen, J. & Keiding, S. R. (2005). Spectral compression of femtosecond pulses in photonic crystal fibers. Optics Letters, 15(30), 2025-2027.
Shipovskov, S., Trofimova, D., Saprykin, E., Christenson, A., Ruzgas, T., Levashov, A. V. & Ferapontova, E. E. (2005). Spraying enzymes in microemulsions of AOT in nonpolar organic solvents for fabrication of enzyme electrodes. Analytical Chemistry, 77(21), 7074-7079. https://doi.org/10.1021/ac050505d
Bürgi, H.-B., Hostettler, M., Birkedal, H. & Schwarzenbach, D. (2005). Stacking disorder: the hexagonal polymorph of tris(bicyclo[2.1.1]hexeno)benzene and related examples. Zeitschrift für Kristallographie - Crystalline Materials, 220, 1066-1075.
Kamihira, M., Vosegaard, T., Mason, A. J., Straus, S. K., Nielsen, N. C. & Watts, A. (2005). Structural and orientational constraints of bacteriorhodopsin in purple membranes determined by oriented-sample solid-state NMR spectroscopy. J. Struct. Biol., 149, 7-16.
Sommer, C., Pedersen, J. S. & Garamus, V. M. (2005). Structure and Interactions of Block Copolymer Micelles of Brij-700 studied by combining Small-Angle X-ray and Neutron Scattering. Langmuir, 21, 2137-2149.
Berndt, I., Pedersen, J. S. & Richtering, W. (2005). Structure of Multiresponsive 'Intelligent' Core-Shell Microgels. Journal of the American Chemical Society, 127, 9372-9373.
Zhou, B., Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2005). Structure refinement of CsNO3(II) by coupling of 14N MAS NMR experiments with WIEN2k DFT calculations. Chemical Physics Letters, 402, 133-137.
Snyder, J., Skovsen, E., Lambert, J. D. C. & Ogilby, P. R. (2005). Subcellular, time-resolved studies of singlet oxygen in single cells. Journal of the American Chemical Society, 127, 14558-14559.
Hald, P. & Iversen, B. B. (2005). Syntese af nanokrystallinske metaloxider i superkritisk væske. Tidsskrift for Dansk Keramisk Selskab, 7, 4-7.
Nielsen, C. B., Johnsen, M., Arnbjerg, J., Pittelkow, M., McIlroy, S. P., Ogilby, P. R. & Jørgensen, M. (2005). Synthesis and Characterization of Water-Soluble Phenylene-Vinylene-Based Singlet Oxygen Sensitizers for Two-Photon Excitation. J. Org. Chem., 70, 7065-7079.
Jensen, C. M., Lindsay, K. D., Andreasen, P. & Skrydstrup, T. (2005). Synthesis of a hydroxyethylene isostere of the tripeptide Arg-Gly-Leu via a convergent acyl-like radical addition strategy. J. Org. Chem., 70, 7512-7519.
Jensen, C. M., Lindsay, K. B., Andreasen, P. & Skrydstrup, T. (2005). Synthesis of a Hydroxyethylene Isostere of the Tripeptide Arg-Gly-Leu via a Convergent Acyl-like Radical Addition Strategy. J. Org. Chem., 70, 7512-7519.
Poulsen, R. D., Bentien, A., Chevallier, M.-A. & Iversen, B. B. (2005). Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure,Mn3(C8O4H4)3(C5H11ON)2. J. Am. Ceram. Soc., 127, 9156-9166.
Pedersen, J. S. & Sommer, C. (2005). Temperature dependence of the virial coefficients and the chi parameter in semi-dilute solutions of PEG. Progress in Colloid and Polymer Science, 130, 1-9.
Coriani, S., Marchesan, D., Gauss, J., Hättig, C., Helgaker, T. & Jørgensen, P. (2005). The accuracy of ab initio molecular geometries for systems containing second-row atoms. Journal of Chemical Physics, 123, 184107-1-12.
Jensen, F. (2005). The effect of different density functional methods on basis set parameters. Chemical Physics Letters, 402(4-6), 510-513. https://doi.org/10.1016/j.cplett.2004.12.075
Siemeling, U., Rother, D., Bruhn, C., Fink, H., Weidner, T., Träger, F., Rothenberger, A., Fenske, D., Priebe, A., Maurer, J. & Winter, R. (2005). The Interaction of 1,1'-Diisocyanoferrocene with Gold: Formation of Monolayers and Supramolecular Polymerization of an Aurophilic Ferrocenophane. Journal of the American Chemical Society, 127(4), 1102-3. https://doi.org/10.1021/ja0436244
Birkedal, H., Broomell, C., Khan, R. K., Slack, N., Lichtenegger, H. C., Zok, F., Stucky, G. D. & Waite, J. H. (2005). The Jaws of Nereis: Microstructure and Mechanical Properties. Mater. Res. Soc. Symp. Proc., 874, 2-2.
Jensen, F. & Janfelt, C. (2005). The magnitude of pseudo-potential errors for bond distances and vibrational frequencies. Chemical Physics Letters, 412(1-3), 12-15. https://doi.org/10.1016/j.cplett.2005.06.081
Janfelt, C. & Jensen, F. (2005). The magnitude of pseudo-potential errors for density functional calculations. Chemical Physics Letters, 406(4-6), 501-503. https://doi.org/10.1016/j.cplett.2005.03.045
Viskolcz, B. & Jensen, S. K. (2005). Theoretical studies of carbon dioxide catalysis of peroxynitrite isomerizations. J. Mol. Struc. - Theochem., 731, 57-60.

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Institut for Kemi