Publikationer

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Publikationer fra Institut for Kemi

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Snyder, J., Gao, Z., Lambert, J. D. C. & Ogilby, P. R. (2005). The imaging of singlet oxygen in single cells. I D. Kessel (red.), Optical Methods for Tumor Treatment and Detection: Mechanisms and Techniques in Photodynamic Therapy XIV (s. 17-25). The International Society for Optical Engineering.

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.

Viskolcz, B. & Jensen, S. K. (2005). Theoretical studies of carbon dioxide catalysis of peroxynitrite isomerizations. J. Mol. Struc. - Theochem., 731, 57-60.

Rajaraman, G., Christensen, K. E., Larsen, F. K., Timco, G. A. & Winpenny, R. E. P. (2005). Theoretical studies on di- and tetra-nuclear Ni pivalate complexes. Chemical Communications, 3053-3055.

Osted, A., Kongsted, J. & Christiansen, O. (2005). Theoretical study of the electronic gas-phase spectrum of glycine, alanine, and related amines and carboxylic acids. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109, 1430-1440.

Bentien, A., Madsen, G. K. H., Johnsen, S. & Iversen, B. B. (2005). Thermoelectric properties of hole doped FeSb₂. I ICT Proceedings (s. 186-188)

Pawlowski, F., Jørgensen, P. & Hättig, C. (2005). The second hyperpolarizability of the N₂ molecule calculated using the approximate coupled cluster triples model CC3. Chemical Physics Letters, 413, 272-279.

Jacobsen, M. F., Moses, J. E., Adlington, R. M. & Baldwin, J. E. (2005). The Total Synthesis of Spectinabilin and Its Biomimetic Conversion to SNF4435C and SNF4435D. Org. Lett., 7(12), 641-644.

Thøgersen, L., Olsen, J., Köhn, A., Jørgensen, P., Salek, P. & Helgaker, T. (2005). The trust-region self-consistent field method in Kohn-Sham density-functional theory. Journal of Chemical Physics, 123, 074103-1-17.

Sanggaard, K. W., Karring, H., Valnickova, Z., Thøgersen, I. B. & Enghild, J. J. (2005). The TSG-6 and IαI Interaction Promotes a Transesterification Cleaving the Protein-Glycosaminoglycan-Protein (PGP) Cross-link. Journal of Biological Chemistry, 280, 11936-11942. https://doi.org/10.1074/jbc.M409016200

Bentien, A., Pacheco, V., Paschen, S., Grin, Y. & Steglich, F. (2005). Transport properties of composition tuned alpha- and beta-Eu8Ga(16-x)Ge(30+x). Physical Review B, 71, 165206. https://doi.org/10.1103/PhysRevB.71.165206

Overgaard, J., Svendsen, H., Chevallier, M.-A. S. & Iversen, B. B. (2005). Triaquatetrakis(dimethylacetamide-kO)-neodymium(III) hexacyanoferrate(III) trihydrate. Acta Crystallographica Section E: Structure Reports Online, 61(2), 268-270. https://doi.org/10.1107/S1600536805000577

Sørensen, M. B., Hazell, R. G., Bentien, A., Bond, A. D. & Jensen, T. R. (2005). Two new cobaltzinc orthophosphate monohydrates: hydrothermal synthesis, crystal structures and thermal investigation. Dalton Transactions, (3), 598-606. https://doi.org/10.1039/b412473a

Frederiksen, P. K., McIlroy, S. P., Nielsen, C. B., Nikolajsen, L. N., Skovsen, E., Jørgensen, M., Mikkelsen, K. V. & Ogilby, P. R. (2005). Two-Photon Photosensitized Production of Singlet Oxygen in Water. Journal of the American Chemical Society, 127(1), 255-269.

McIlroy, S. P., Clo, E., Nikolajsen, L., Frederiksen, P. K., Nielsen, C. B., Mikkelsen, K. V., Gothelf, K. V. & Ogilby, P. R. (2005). Two-Photon Photosensitized Production of Singlet Oxygen: Sensitizers with Phenylene-Ethynylene-Based Chromophores. J. Org. Chem., 70, 1134-1146.

Høyer, B. & Gulamhusein, A. (2005). Udvaskning og immobilisering af arsen i jord - laboratoriestudie. I ATV Vintermøde om jord- og grundvandsforurening (s. 467-478). ATV.

Hoyer, B. & Jensen, N. (2005). Use of sodium dodecyl sulfate for suppression of electrode fouling in the voltammetric detection of biologically relevant compounds. Electroanalysis, 17(22), 2037-2042.

Høyer, B. & Jensen, N. (2005). Use of sodium dodecyl sulfate for suppression of electrode fouling in the voltammetric detection of biologically relevant compounds. Electroanalysis, 17(22), 2037-2042.

Lund, H., Svith, H., Pedersen, S. U. & Daasbjerg, K. (2005). Versatile electrochemically based preparation of unusual Grignard reagents containing electrophilic substituents. Electrochimica Acta, 51(4), 655-664.

Howard, D. L., Jørgensen, P. & Kjaergaard, H. G. (2005). Weak Intramolecular Interactions in Ethylene Glycol Identified by Vapor Phase OH-Stretching Overtone Spectroscopy. Journal of the American Chemical Society, 127, 17096-17103.

Coriani, C., Helgaker, T., Jørgensen, P. & Klopper, W. (2004). A closed-shell coupled-cluster treatment of the Breit-Pauli first-order relativistic energy correction. Journal of Chemical Physics, 121(14), 6591-6598.

Thøgersen, L. & Olsen, J. (2004). A coupled cluster and full configuration interaction study of CN and CN-. Chemical Physics Letters, 393, 36-43.

Thøgersen, L. & Olsen, J. (2004). A coupled cluster and full configuration interaction study of CN and CN^-. Chemical Physics Letters, 393, 36-43.

Kongsted, J., Hansen, A. E., Pedersen, T. B., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2004). A coupled cluster study of the oriented circular dichroism of the n -pi* electronic transition in cyclopropanone and natural optical active related structures. Chemical Physics Letters, 391, 259-266.

Palmqvist, A. E. C., Iversen, B. B., Zanghellini, E., Behm, M. & Stucky, G. D. (2004). A Crystalline Microporous Narrow-Bandgap Semiconductor. Angewandte Chemie International Edition, 43, 699-704.

Shapiro, S., Bader, A. & Jensen, S. K. (2004). Activation energies for the reorientation of the hydroxy group in symmetric dihalogenated phenols. J. Mol. Struc. - Theochem., 711, 1-5.

Pedersen, J. S. (2004). A flux- and background-optimized version of the NanoSTAR small-angle X-ray scattering camera for solution scattering. Journal of Applied Crystallography, 37, 369-380.

Rousseau, C., Nielsen, N. & Bols, M. (2004). An Artificial Enzyme that catalyses hydrolysis of Aryl Glycosides. Tetrahedron Letters, 45, 8709-8711.

Larsen, A. G., Johannsen, K. & Gothelf, K. V. (2004). An Electrochemical Quartz Crystal Microbalance Study of the Etching of Gold Surfaces in the Presence of Tetramethylthiourea. J. Coll. Int. Sci., 279, 158-166.

Blakskjær, P., Gavrila, A., Andersen, L. & Skrydstrup, T. (2004). An improved protocol for the SmI2-promoted C-alkylation of peptides: degradation and functionalization of serine residues in linear and cyclic peptides. Tetrahedron Letters, 45, 9091-9094.

Bertram, H. C., Kristensen, N. B., Malmendal, A., Nielsen, N. C., Jensen, S. K. & Harnon, D. L. (2004). An NMR-based metabolomic approach to assess metabolism in splanchnic tissues of steers. J. Anim. Feed Sci., 13, 295-298.

Sommer, C., Pedersen, J. S. & Stein, P. C. (2004). Apparent specific volume measurements of poly(ethylene oxide), poly(butylene oxide), poly(propylene oxide), and octadecyl chains in the micellar state as a function of temperature. Journal of Physical Chemistry B, 108(20), 6242-6249.

Helgaker, T., Ruden, T. A., Jørgensen, P., Olsen, J. & Klopper, W. (2004). A priori calculation of molecular properties to chemical accuracy. J. Phys. Org. Chem., 17, 913-933.

Stieger, M., Pedersen, J. S., Lindner, P. & Richtering, W. (2004). Are thermoresponsive microgels model systems for concentrated colloidal suspensions? A rheology and small-angle neutron scattering study. Langmuir, 20(17), 7283-7292.

Christiansen, O. (2004). A second quantization formulation of multimode dynamics. Journal of Chemical Physics, 120, 2140-2148.

Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2004). A solid-state ¹⁴N magic-angle spinning NMR study of some amino acids. Journal of Magnetic Resonance, 166, 262-272.

Saaby, S., Bella, M. & Jørgensen, K. A. (2004). Asymmetric Construction of Quaternary Stereocenters by Direct Organocatalytic Amination of alpha-Substituted alpha-Cyanoacetates and beta-Dicarbonyl Compounds. Journal of the American Chemical Society, 126, 8120-8121.

Andersch, J., Bols, M. & Hazell, A. (2004). Benzyl 4-C-nitrosomethyl-beta-D-arabinopyranoside. Acta Crystallographica Section E: Structure Reports Online, 60, 660-661.

Pedersen, A. S., Jensen, J. O., Jensen, T. R., Vegge, T., Nørskov, J. K. (red.) & Feidenhans'l, R. (red.) (2004). Brintlagring. I Brintforskning i Danmark - udfordringer og perspektiver: Hvidbog om forskningsstrategi for brintbaseret energiforsyning i Danmark

Marigo, M., Kumaragurubaran, N. & Jørgensen, K. A. (2004). Catalytic Asymmetric Bromination and Chlorination of Beta-Ketoesters. Chemistry - A European Journal, 10.

Jensen, H., Joensen, K. D., Jørgensen, J.-E., Pedersen, J. S. & Sogaard, E. G. (2004). Characterization of nanosized partly crystalline photocatalysts. J. Nanopart. Res., 6, 519-526. https://link.springer.com/article/10.1007/s11051-004-1714-3

Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2004). Characterization of white Portland cement hydration and the C-S-H structure in the presence of sodium aluminate by ²⁷Al and ²⁹Si MAS NMR spectroscopy. Cement and Concrete Research, 34, 857-868.

Filinchuk, Y. E., Birkedal, H., Cerny, R., Hostettler, M., Yanson, T. I., Bodak, O. I. & Yvon, K. (2004). Chemical heterogeneity of a Crystal Built of Nanoscale Coherently Twinned Yb_2-x(Fe,Ga)_17+2x Polytypes. Chemistry - A European Journal, 10, 2972-2976.

Pedersen, H., Sinning, S., Bülow, A., Wiborg, O., Falborg, L. & Bols, M. (2004). Combinatorial Synthesis of Benztropine libraries and their Evaluation as Monoamine Transporter Inhibitors. Organic and Biomolecular Chemistry, 2, 2861-2869.

Bertram, H. C., Jakobsen, H. J. & Andersen, H. J. (2004). Combined High-Field ¹³C CP MAS NMR and Low-Field NMR Relaxation Measurements on Post Mortem Porcine Muscles. Journal of Agricultural and Food Chemistry, 52, 3159-3164.

McDonnell, C., Lopez, O. L., Murphy, P., Bolanos, J. F., Hazell, R. & Bols, M. (2004). Conformational effects on glycoside reactivity: Study of the high reactive conformer of glucose. Journal of the American Chemical Society, 126, 12374-12385.

Petersen, C., Peronne, E., Thøgersen, J., Stapelfeldt, H. & Machholm, M. (2004). Control and imaging of interfering wave packets in dissociating I₂ molecules. Physical Review A, 70, 033404-1 - 033404-9.

Ruden, T. A., Helgaker, T., Jørgensen, P. & Olsen, J. (2004). Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N₂, F₂, and CO. Journal of Chemical Physics, 121(12), 5874-5884.

Bachmann, S., Fielenbach, D. & Jørgensen, K. A. (2004). Cu(I)-carbenoid- and Ag(I)-Lewis acid-catalyzed asymmetric intermolecular insertion of alpha-diazo compounds into N-H bonds. Organic and Biomolecular Chemistry, 2, 3044-3049.

Rousseau, C., Christensen, B., Petersen, T. E. & Bols, M. (2004). Cyclodextrins containing an acetone bridge: Synthesis and study as epoxidation catalysts. Organic and Biomolecular Chemistry, 2, 3476.

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Revideret 08.05.2026

Institut for Kemi