Publikationer

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

Sortér efter: Dato | Forfatter | Titel

Jørgensen, K. A. & Kobayashi, S. (red.) (2001). Catalytic Enantioselective Cycloaddition Reactions of Carbonyl Compounds. I Metal-catalyzed Cycloaddition Reactions (s. Advance article). Wiley-VCH Publishers.

Zhuang, W., Gathergood, N. & Jørgensen, K. A. (2001). Catalytic Enantioselective Friedel-Crafts Reactions of Aromatic and Heteroaromatic Compounds to Trifluoropyruvate - A simple Approach for the Formation of Optically Active and Heteroaromatic Hydroxy TrifluoromethylEsters. J. Org. Chem., 66.

Hald, K., Hättig, C., Olsen, J. & Jørgensen, P. (2001). CC3 triplet excitation energies using an explicit spin coupled excitation space. Journal of Chemical Physics, 115, 3545-3552.

Bak, K. L., Halkier, A., Jørgensen, P., Olsen, J., Helgaker, T. & Klopper, W. (2001). Chemical accuracy from "Coulomb hole" extrapolated molecular quantum-mechanical calculations. Journal of Molecular Structure: THEOCHEM, 567, 375-384.

Bieniasz, L. K. & Britz, D. (2001). Chronopotentiometry at a microband electrode: simulation study using a Rosenbrock time integration scheme for differential-algebraic equations, and a direct sparse solver. Journal of Electroanalytical Chemistry, 503, 141-152.

Beau, J.-M., Vauzeilles, B., Skrydstrup, T., Tatsuta, K. (red.) & Thiem, J. (red.) (2001). C-Oligosaccharide Synthesis. I Glycoscience: Chemistry and Chemical Biology; Fraser Reid, B Springer.

Bak, M., Rasmussen, L. K., Petersen, T. E. & Nielsen, N. C. (2001). Colloidal calcium phosphates in casein micelles studied by slow-speed-spinning ³¹P magic angle spinning solid-state nuclear magnetic resonance. Journal of Dairy Science, 84, 1310-1319.

Larsen, H., Olsen, J., Jørgensen, P. & Gauss, J. (2001). Comparison of full-configuration interaction and coupled-cluster harmonic and fundamental frequencies for BH and HF. Chem. Phys. Letters, 342, 200-206.

Bak, M., Bywater, R. P., Hohwy, M., Thomsen, J. K., Adelhorst, K., Jakobsen, H. J., Sørensen, O. W. & Nielsen, N. C. (2001). Conformation of Alamethicin in Oriented Phospholipid Bilayers Determined by 15N Solid-State Nuclear Magnetic Resonance. Biophysical Journal, (81), 1684-1698.

Bak, M., Bywater, R., Hohwy, M., Thomsen, J. K., Adelhorst, K., Jakobsen, H. J., Sørensen, O. W. & Nielsen, N. C. (2001). Conformation of alamethicin in oriented phospholipid bilayers determined by ¹⁵N solid-state NMR. Biophysical Journal, 81, 1684-1698.

Britz, D. (2001). Consistency proof of Feldberg's simple BDF start in electrochemical digital simulation. Journal of Electroanalytical Chemistry, 515, 1-7.

Jaszunski, M., Rizzo, A. & Jørgensen, P. (2001). Coupled-cluster calculation of dispersion contributions to interaction energies and polarizabilities. Theor. Chem. Acc., 106, 251-258.

Nielsen, U. G., Jakobsen, H. J., Skibsted, J. & Norby, P. (2001). Crystal structure of α-Mg2V2O7 from synchrotron X-ray powder diffraction and characterization by 51V MAS NMR spectroscopy. Chem. Soc. Dalton Trans., 3214-3218.

Larsen, H., Olsen, J., Jørgensen, P. & Helgaker, T. (2001). Direct optimization of the atomic-orbital density matrix using the conjugate-gradient method with a multilevel preconditioner. Journal of Chemical Physics, 115, 9685-9697.

Arleth, L. & Pedersen, J. S. (2001). Droplet polydispersity and shape fluctuations in AOT [bis(2-ethylhexyl)sulfosuccinate sodium salt] microemulsions studied by contrast variation small-angle neutron scattering. Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 63, 61406-61406.

Nielsen, F. U., Christensen, P. D., Overgaard, J., Stødkilde-Jørgensen, H., Horsman, M. R. & Maxwell, R. J. (2001). Effect of changing tumor oxygenation on glycolytic metabolism in a murine C3H mammary carcinoma assessed by in vivo Nuclear Magnetic Resonance spectroscopy. Cancer Research, 61(13), 5318-5325. http://www.ncbi.nlm.nih.gov/htbin-post/Entrez/query?db=m&form=6&uid=11431377&dopt=r

Andersch, J. & Bols, M. (2001). Efficient Synthesis of Isofagomine and Noeuromycin. Chemistry - A European Journal, 7, 3744-3747.

Pedersen, S. U., Daasbjerg, K. & Balzani, Z. B. (red.) (2001). Electrochemical Techniques. I Electron Transfer in Chemistry (s. 195102-1-195102-6). Wiley-VCH.

Madsen, G. K. H., Iversen, B. B., Blaha, P. & Schwarz, K. (2001). Electronic structure of the sodium and potassium electrosodalites (NaK)8(AlSiO4)6. Phys. Rev., B64, 195102-1-195102-6.

Gathergood, N., Knudsen, K. R. & Jørgensen, K. A. (2001). Enantioselective Synthesis of Optically Active Carbocyclic Sugars. J. Org. Chem., 66.

Macchi, P., Schultz, A. J., Larsen, F. K. & Iversen, B. B. (2001). Experimental and Theoretical Electron Density Study of the Peroxo Function in Oxoperoxo(pyridine-2,6-dicarboxylato) (hexamethylphosphoramide)molybdenum(VI): Implications for Olefin Epoxidation by Peroxo TransitionMetal Complexes. J. Phys. Chem., A105, 9231-9242.

Poulsen, J., Keiding, S. R. & Rossky, P. J. (2001). Extracting rates of vibrational energy relaxation from centroid Molecular Dynamics. Chemical Physics Letters, 336, 488-494.

Thomsen, C. L., Madsen, D., Poulsen, J. A., Rønne, C., Thøgersen, J., Jensen, S. K. & Keiding, S. R. (2001). Femtosecond Photolysis of Aqueous HOCl. Journal of Chemical Physics, 115, 9361-9369.

Liang, X., Andersch, J. & Bols, M. (2001). Garner`s aldehyde. Chem. Soc. Perkin 1, 2136-2157.

Larsen, H., Helgaker, T., Olsen, J. & Jørgensen, P. (2001). Geometrical derivatives and magnetic properties in atomic-orbital density-based Hartree-Fock theory. Journal of Chemical Physics, 115, 10344-10352.

Bach, P., Bols, M., Damsgård, A., Hansen, S. U., Lohse, A., Tatsuta, K. (red.) & Thiem, J. (red.) (2001). Glycomimetics. Sugar Shaped Bullets from the Laboratory. I Glycoscience: Chemistry and Biology; Fraser-Reid, B

Alonso, C., Eliash, R., Jensen, T. R., Kjaer, K., Lahav, M. & Leiserowitz, L. (2001). Guest Intercalation at Corrugated Surface of Host Monolayer Crystal on Water: Cholesteryl-L-Glutamate and Water-Soluble Amino Acids. Journal of the American Chemical Society, 123, 10105-10106.

Helgaker, T., Bak, K. L., Halkier, A., Jørgensen, P., Klopper, W., Olsen, J. & I.J.Cioslowski. (red.) (2001). Highly accurate ab initio computation of thermochemical data. I Quantum-Mechanical Prediction of Thermochemical Data Kluwer Academic Publishers.

Jensen, S. K. & Csizmadia, I. G. (2001). Hydroxyl radical piggybacking on hydrogen carbonate. Chemical Physics Letters, 341, 633-637.

Halland, N. & Jørgensen, K. A. (2001). Intermolecular Addition of Alkyl Radicals to Imines in the Absence and in the Presence of Lewis Acids. J. Chem. Soc., Perkin Trans. 1.

Christensen, A. N., Lundtoft, B. & Madsen, I. C. (2001). Investigation of formation of cristobalite from the diatomaceous clay Moler using X-ray powder diffraction data and profile refinement methods. I 17'th Nordic Structural Chemistry Meeting (s. 144107-1 - 144107-18)

Dieter, Strutwolf, J. & Thøgersen, L. (2001). Investigation of some starting protocols for BDF (FIRM) in electrochemical digital simulation. Journal of Electroanalytical Chemistry, 512, 119-123.

Nørlund Christensen, A., Lundtoft, B. & Madsen, I. C. (2001). Investigation of the Formation of Cristobalite from the Diatomaceous Clay Moler Using Powder X-ray Diffractometry Data and Profile Refinement Methods. Journal of the American Ceramic Society, 84, 878-880.

Søhoel, H., Liang, X. & Bols, M. (2001). Isogalactofagomine lactam. A Neutral Nanomolar Galactosidase Inhibitor. J. Chem. Soc. Perkin 1, 1584-1585.

Vank, J. C., Jensen, S. K., Tang, T. H. & Csizmadia, I. G. (2001). Is there a O-H...C hydrogen bond in the cation of cis-ortho cresol? J. Mol. Struc. - Theochem., 537, 189-192.

Enemærke, R. J., Hjøllund, G. H., Daasbjerg, K. & Skrydstrup, T. (2001). Is the Trinuclear Complex the True Reducing Species in the Cp2TiCl2/Mn- and Cp2TiCl2/Zn-Promoted Pinacol Coupling. C. R. Acad. Sci. Paris, Chimie / Chemistry, 4.

Reitzel, N., Hassenkam, T., Balashev, K., Jensen, T. R., Howes, P. B., Kjaer, K., Fechtenkötter, F., Tchebotareva, N., Ito, S., Müllen, K. & Bjørnholm, T. (2001). Langmuir and Langmuir-Blodgett Films of Amphiphilic Hexa-peri-hexabenzocoronene: New Phase Transitions and Electronic Properties Controlled by Pressure. Chemistry - A European Journal, 7(22), 4894-4901.

Palii, S. P., Richardson, D. E., Hansen, M. L., Iversen, B. B., Larsen, F. K., Singerean, L., Timco, G. A., Gerbeleu, N. V., Jennings, K. R. & Eyler, J. R. (2001). Mixed-terminal-ligand oxo-centered carboxylate-bridged trinuclear complexes: gas phase generation by means of electrospray ionization FT-ICR MS, condensed phase synthesis, and X-ray structure ofK+[Cr3O(C6H5COO)6(F)2(H2O)]-.2(CH3)2CO. Inorganica Chimica Acta, 319, 23-42.

Jørgensen, P. (2001). Molekylers struktur og egenskaber. Dansk Kemi, 82, 27-30.

Christensen, J., Bentien, A. & Iversen, B. B. (2001). Multi-temperature study of I8Ge38As8. I 17'th Nordic Structural Chemistry Meeting (s. 144107-1 - 144107-18)

Latturner, S., Iversen, B. B., Sepa, J., Srdanov, V. & Stucky, G. (2001). NMR Knight shifts and the electronic properties of Rb8Na16Si136 clathrate. Phys. Rev., B63, 125403-1 - 125403-7.

Balashev, K., Jensen, T. R., Kjaer, K. & Bjørnholm, K. (2001). Novel methods for studying lipids and lipases and their mutual interaction at interfaces. Part I. Atomic force microscopy. Biochimie, 83, 387-397.

Jensen, T. R., Balashev, K., Bjørnholm, T. & Kjaer, K. (2001). Novel methods for studying lipids and lipases and their mutual interaction at interfaces. Part II. Surface sensitive synchrotron X-ray scattering. Biochemie, 83, 399-408.

Bak, M., Schultz, R., Nielsen, N. C., Kiihne, S. (red.) & deGroot, H. J. M. (red.) (2001). Numerical simulations for experiment design and extraction of structural parameters in biological solid-state NMR spectroscopy. I Perspectives of Solid-State NMR in Biology (s. 95-110). Kluwer Academic Publishers.

Roberson, M., Jepsen, A. S. & Jørgensen, K. A. (2001). On the Mechanism of Catalytic Enantioselective Hetero-Diels-Alder Reactions of Carbonyl Compounds Catalyzed by Chiral Aluminum Complexes - A Concerted, Step-wise or Mukaiyama-Aldol Pathway. Tetrahedron, 57.

Dam, N. & Ogilby, P. R. (2001). On the Mechanism of Polyamide Degradation in Chlorinated Water. Helvetica Chimica Acta, 84, 2540-2549.

Jakobsen, H. J., Skibsted, J., Kristensen, M. & Zauner, D. A. (2001). Phosphorus-doped thin silica films characterized by magic-angle spinning nuclear magnetic resonance spectroscopy. Journal of Applied Physics, 89, 4134-4138.

Jensen, M. Ø., Mouritsen, O. G., Jensen, T. R., Kjaer, K., Balashev, K., Bjørnholm, T. & Peters, G. H. (2001). Preferred interfacial orientation and conformation of a lipase investigated by molecular dynamics simulations. I Biophys. J. (s. 1364-1364)

Skrydstrup, T. & Fleming, I. (red.) (2001). Product Subclass 13: Silyl Diethers. I Science of Synthesis, Houben-Weyl (s. 269-291). Thieme.

Viuf, C. & Bols, M. (2001). Radical azidonation of benzylic positions with iodonium azide. Angewandte Chemie International Edition, 40, 623-625.

Viser resultater 5551 til 5600 ud af 5898

112

Revideret 08.05.2026

Institut for Kemi