Publikationer

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Publikationer fra Institut for Kemi

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Johannesen, S. A., Sinou, D., Framery, E. & Skrydstrup, T. (2007). Evaluation of disaccharide-based ligands for Pd(0)-catalyzed assymetric allylations. Tetrahedron Letters, 48, 3569-3573.

Vase, K. H., Holm, A. H., Winther-Jensen, B., Pedersen, S. U. & Daasbjerg, K. (2007). Evaluation of various strategies to formation of pH responsive hydroquinone-terminated films on carbon electrodes. Electrochimica Acta, 53, 1680-1688. https://doi.org/10.1016/j.electacta.2007.08.018

Karring, H., Valnickova, Z., Thøgersen, I., Hedegaard, CJ., Møller-Pedersen, T., Kristensen, T., Klintworth, GK. & Enghild, J. J. (2007). Evidence against a blood derived origin for transforming growth factor beta induced protein in corneal disorders caused by mutations in the TGFBI gene. Molecular Vision.

I. van Kasteren, S., O. Kramer, H., Jensen, H. H., J. Campbell, S., Kirkpatrick, J., Oldham, N., C. Anthony, D. & G. Davis, B. (2007). Expanding the diversity of chemical protein modifications allows post-translational mimicry. Nature, 446, 1105-1109. http://www.nature.com/nature/journal/v446/n7139/pdf/nature05757.pdf

Overgaard, J., Waller, M. P., Piltz, R., Platts, J. A., Emseis, P., Leverett, P., Williams, P. A. & Hibbs, D. E. (2007). Experimental and Theoretical Charge Density Distribution in Two Ternary Cobalt(III) Complexes of Aromatic Amino Acids. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 111, 10123-10133.

Overgaard, J., Turel, I. & Hibbs, D. E. (2007). Experimental electron density study of a complex between copper(II) and the antibacterial quinolone family member ciprofloxacin. Dalton Transactions , 2171-2178.

Bräuner, E. V., Forchhammer, L., Møller, P., Simonsen, J., Glasius, M., Wåhlin, P., Raaschou-Nielsen, O. & Loft, S. (2007). Exposure to Ultrafine Particles from Ambient Air and Oxidative Stress-Induced DNA Damage. Environmental Health Perspectives, 115(8), 1177-1182.

Andresen, E. R., Thøgersen, J., Nielsen, C. K. & Keiding, S. R. (2007). Fiber laser-based light source for coherent anto Stokes Raman scattering microspectroscopy. Optics Express, 15(8), 4848-4856.

Kaminsky, J. & Jensen, F. (2007). Force Field Modelling of Amino Acid Conformational Energies. Journal of Chemical Theory and Computation, 1774-1788. https://doi.org/10.1021/ct700082f

Rasmussen, T. D., Ren, P., Ponder, J. W. & Jensen, F. (2007). Force Field Modelling of Conformational Energies. The Importance of Intramolecular Polarization. International Journal of Quantum Chemistry, (107), 1390-1395. https://doi.org/10.1002/qua.21278

Jørgensen, J.-E., Mosegaard, L., Thomsen, L. E., Jensen, T. R. & Hanson, J. C. (2007). Formation of γ-Fe₂O₃ nanoparticles and vacancy ordering: An in situ X-ray powder diffraction study . Journal of Solid State Chemistry, 180, 180-185.

Kjærgaard, T., Jansik, B., Jørgensen, P., Coriani, S. & Michl, J. (2007). Gauge-Origin-Independent Coupled Cluster Singles and Doubles Calculation of Magnetic Circular Dichroism of Azabenzenes and Phosphabenzene Using London Orbitals. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 111, 11278-11286.

Aidas, K., Kongsted, J., B. Nielsen, C., V. Mikkelsen, K., Christiansen, O. & Ruud, K. (2007). Gauge-origin independent magnetizabilities from quantum mechanics/molecular mechanics models:Theory and application to liquid water. Chem. Phys. Letters, 442, 322-328.

Weijo, V., Manninen, P., Jørgensen, P., Christiansen, O. & Olsen, J. (2007). General biorthogonal projected bases as applied to second-order Møller-Plesset perturbation theory. Journal of Chemical Physics, 127, 074106.

Glasius, M., Bilde, M., Ketzel, M., Pryor, S., Kristensen, T., Ström, J. & Sørensen, L. G. (2007). Global marine aerosol studies on the Galathea 3 expedition. I C. Delval, S. Jørgensen, M. Goodsite & M. S. Johnson (red.), Book of Abstracts: The Eighth Informal Conference on Atmospheric and Molecular Science: June 8 to 10, 2007. LO-skolen Conference Center, Helsingør, Denmark University of Copenhagen.

Jensen, H. H., Pedersen, C. M. & Mikael, B. (2007). Going to extremes: "Super" armed glycosyl donors in glycosylation chemistry. Chemistry - A European Journal, 13(27), 7576-7582.

Glasius, M. (2007). Grantræer eller luftforurening - hvad betyder mest for organiske aerosoler i luft? Dansk Kemi, (12), 16-18.

Bertin, A., Renouard, M., Pedersen, J. S., Livolant, F. & Durand, D. (2007). H3 and H4 Histone Tails Play a Central Role in the Interactions of Recombinant NCPs. Biophysical Journal, 92(7), 2633-2645.

Nielsen, N. C., Vosegaard, T., Ishijima, M. K. & Watts, A. (2007). Helix Conformations in 7TM Membrane Protein Determined using Oriented Sample Solid-State NMR. Biophysical Journal, 94, 241-250.

Valnickova, Z., Petersen, S. V., Nielsen, SB., Otzen, D. & Enghild, J. J. (2007). Heparin binding induces a conformational change of pigment epithelium-derived factor (PEDF). Journal of Biological Chemistry.

Pedersen, B. L., Birkedal, H., Nishibori, E., Bentien, A., Sakata, M., Nygren, M., Frederiksen, P. T. & Iversen, B. B. (2007). Hg_0.04Zn_3.96Sb₃: Synthesis, Crystal Structure, Phase Transition, and Thermoelectric Properties. Chemistry of Materials, 19, 6304-6311.

Sinning, S., Boye, S. V., Wiborg, O., Ortega-Caballero, F., Jensen, HH. & Bols, M. (2007). High dopamine transporter selectively can be displayed by remarkably simple non-nitrogen containing inhibitors. Bioorganic & Medicinal Chemistry Letters, 17(21), 6019-6025.

Boye, S. V., Ortega-Caballero, F., Sinning, S., Wiborg, O., Jensen, H. H. & Bols, M. (2007). High dopamine transporter selectivity can be displayed by remarkably simple non-nitrogen containing inhibitors. Bioorganic & Medicinal Chemistry Letters, 17(21), 6019-6025.

Hegelund, F., Wugt Larsen, R., Aitken, R. A., Aitken, K. M. & Palmer, M. H. (2007). High-resolution infrared and theoretical study of four fundamental bands of gaseous 1,3,4-oxadiazole between 800 and 1600 cm-1. Journal of Molecular Spectroscopy, 246, 198-212.

Hegelund, F., Wugt larsen, R. & Palmer, M. H. (2007). High-resolution infrared and theoretical study of gaseous oxazole in the 600-1400 cm-1 region. Journal of Molecular Spectroscopy, 241, 26-44.

Hegelund, F., Wugt Larsen, R., Engdahl, A., Uvdal, P. & Nelander, B. (2007). High-resolution infrared study of collisionally cooled trans-1,2-dichlorethylene. Journal of Molecular Spectroscopy, 243, 99-102.

Vosegaard, T. & Massiot, D. (2007). High-resolution two-dimensional NMR spectra of half-integer-spin quadrupolar nuclei from one-dimensional projections. Chemical Physics Letters, 437, 120-125. https://doi.org/10.1016/j.cplett.2007.01.077

Viftrup, S., Kumarappan, V., Trippel, S. & Stapelfeldt, H. (2007). Holding and Spinning Molecules in Space. Physical Review Letters, 99(143602).

Christensen, M. & Iversen, B. B. (2007). Host Structure Engineering in Thermoelectric Clathrates. Chemistry of Materials, 19, 4896-4905.

Reyes Martin, E., Jiang, H., Milelli, A., Elsner, P., Hazell, R. G. & Jørgensen, K. A. (2007). How to Make Five Contiguous Stereocenters in One Reaction: Asymmetric Organocatalytic Synthesis of Pentasubstituted Cyclohexanes. Angewandte Chemie International Edition, 46, 202.

Reyes, E., Jiang, H., Milelli, A., Elsner, P. & Jørgensen, K. A. (2007). How to Make Five Contiguous Stereocenters in One Reaction: Asymmetric Organocatalytic Synthesis of Pentasubstituted Cyclohexanes. Angewandte Chemie International Edition, 46, 9202-9205. https://doi.org/10.1002/anie.200704454

Kjærgaard, H. G., Schofield, D. P. & Lane, J. R. (2007). Hydrogen Bonded OH-Stretching Vibration in the Water Dimer. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 111, 567-572.

Bösenberg, U., Doppiu, S., Mosegaard, L., Barkhordarian, G., Eigen, N., Borgschulte, A., Jensen, T. R., Cerenius, Y., Gutfleisch, O., Klassen, T., Dornheim, M. & Bormann, R. (2007). Hydrogen sorption properties of MgH₂–LiBH₄ composites . Acta Materialia, 55, 3951-3958.

Meller, N., Hall, C., Kyritsis, K., Giriat, G., Jakobsen, H. J. & Skibsted, J. (2007). Incorporation of Aluminium Guest-ions in Nominally Alumina-free Calcium Silicate Hydrates: Effects on Crystal Structure and Thermal Stability. I 12. International Congress on the Chemistry of Cement, Montréal, Canada (s. TH4-10.1 1-12)

Weigelt, S., Busse, C. W., Nielsen, M., Gothelf, K. V., Lægsgaard, E., Besenbacher, F. & Linderoth, T. R. (2007). Influence of molecular geometry on the adsorption orientation for oligophenylene-ethynylenes on Au(111). Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 111.

Viskolcz, B., Fejer, S. N., Jensen, S. K., Perczel, A. & Csizmadia, I. G. (2007). Information accumulation in helical oligopeptide structures. Chemical Physics Letters, 450, 123-126.

Jensen, H., Bremholm, M., Nielsen, R. P., Joensen, K. D., Pedersen, J. S., Birkedal, H., Chen, Y.-S., Almer, J., Søgaard, E. G., Iversen, S. B. & Iversen, B. B. (2007). In Situ High-Energy Synchrotron Radiation Study of Sol-Gel Nanoparticle Formation in Supercritical Fluids. Angewandte Chemie International Edition, 46, 1113-1116.

Mosegaard, L., Møller, B., Jørgensen, J.-E., Bösenberg, U., Dornheim, M., Hanson, J. C., Cerenius, Y., Walker, G., Jakobsen, H. J., Besenbacher, F. & Jensen, T. R. (2007). Intermediate phases observed during decomposition of LiBh₄. Journal of Alloys and Compounds, 446-447, 301-305.

Cantarero, J. L., Cid, B., Poulsen, T. B., Bella, M., Ruano, J. L. & Jørgensen, K. A. (2007). Intriguing Behaviour of Cinchona Alkaloids in the Enantioselective Organocatalytic Hydroxyamination of α-Substitued-α-Cyanoacetats. J. Org. Chem., 7062.

Lindhardt, A. T., Ebran, J.-P., Gøgsig, T. & Skrydstrup, T. (2007). Investigations on the Suzuki−Miyaura and Negishi Couplings with Alkenyl Phosphates: Application to the Synthesis of 1,1-Disubstituted Alkenes. Journal of Organic Chemistry, 72, 6464-6472. https://doi.org/10.1021/jo070912k

Nielsen, N. C., Malmendal, A., Vestergaard, M., Oksbjerg, N., Young, J. F., Bertram, H. C., Theil, P. K., Petersen, A.-G. D., Poulsen, K. A. & Rasmussen, M. (2007). In vito and in vivo studies of cretine monohydrate supplementation to Duroc and Landrace pigs. Meat Science, 76, 342-51.

Salek, P., Høst, S., Thøgersen, L., Jørgensen, P., Manninen, P., Olsen, J., Jansik, B., Reine, S., Pawlowski, F., Tellgren, E., Helgaker, T. & Coriani, S. (2007). Linear-scaling implementation of molecular electronic self-consistent field theory. Journal of Chemical Physics, 126, 114110-1 - 114110-16.

Coriani, S., Høst, S., Jansik, B., Thøgersen, L., Olsen, J., Jørgensen, P., Reine, S., Pawlowski, F., Helgaker, T. & Salek, P. (2007). Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory. Journal of Chemical Physics, 126(15), 154108-1 - 154108-11.

Jansik, B., Høst, S., Jørgensen, P., Olsen, J. & Helgaker, T. (2007). Linear-scaling symmetric square-root decomposition of the overlap matrix. Journal of Chemical Physics, 126, 124104-9.

Jakobsen, H. J., Hove, A. R., Bildsøe, H. K., Skibsted, J. B. & Brorson, M. (2007). Long-term stability of rotor-controlled MAS frequencies to 0.1 Hz proved by ¹⁴N MAS NMR experiments and simulations. Journal of Magnetic Resonance, 185, 159-163.

Iversen, B. B. (2007). Low-Temperature Structural Transitions in Phonon-Glass Thermoelectric Material Zn₄Sb₃: Ordering of Zn interstitials and defects. Chemistry of Materials, 19, 834-838.

Hatz, S., Lambert, J. D. C. & Ogilby, P. R. (2007). Measuring the Lifetime of Singlet Oxygen in a Single Cell: Addressing the Issue of Cell Viability. Photochem. Photobiol. Sci., 6, 1106-1116.

Silva Goncalves, E., Poulsen, L. & Ogilby, P. R. (2007). Mechanism of the Temperature Dependent Degradation of Polyamide 66 Films Exposed to Water. Polym. Degrad. Stab., 92, 1977-1985.

Gansäuer, A., Barchuk, A., Keller, F., Schmitt, M., Grimme, S., Gerenkamp, M., Mück-Lichtenfeld, C., Daasbjerg, K. & Svith, H. (2007). Mechanism of titanocene-mediated epoxide opening through homolytic substitution. Journal of the American Chemical Society, 129(5), 1359. https://doi.org/10.1021/ja067054e

Gansäuer, A., Barchuk, A., Keller, F., Schmitt, M., Grimme, S., Gerenkamp, M., Mück-Lichtenfeld, C., Daasbjerg, K. & Svith, H. (2007). Mechanism of Titanocene‑Mediated Epoxide opening through Homolytic Substitution. Journal of the American Chemical Society, 129, 1359-1371.

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