Publikationer

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Publikationer fra Institut for Kemi

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Jakobsen, H. J., Hald, E., Rice, D., Kupce, E., Ellis, P. D. & Christensen, P. D. (2002). A 4-mm Probe for 13C CP/MAS NMR of Solids at 21.15 T. Journal of Magnetic Resonance, 156, 152-154.

Jakobsen, H. J., Christensen, P. D., Hald, E. G., Rice, D., Kupce, E. & Ellis, P. D. (2002). A 4-mm Probe for ¹³C CP/MAS NMR of Solids at 21.15 T. Journal of Magnetic Resonance, 156, 152-154.

Coriani, S., Pecul, M., Rizzo, A., Jørgensen, P. & Jaszunski, M. (2002). Ab initio study of magnetochiral birefringence. Journal of Chemical Physics, 117, 6417-6428.

Andersen, L. K. & Ogilby, P. R. (2002). Absorption Spectrum of Singlet Oxygen (a¹Δ_g → b¹Σ_g⁺) in D₂O: Enabling the Test of a Model for the Effect of Solvent on Oxygen's Radiative Transitions. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106, 11064-11069.

H., J., H.S., S., Pedersen, S. U. & Daasbjerg, K. (2002). Activation parameters for the competing electron transfer and S(N)2 pathways of the reaction of anthracene radical anion with cyclopropylmethyl bromide. Journal of the Chemical Society, Perkin Transactions 2, 1423-1428.

Larsen, R. W., Ceponkus, J., Nelander, B. & Hegelund, F. (2002). A High-Resolution FT-IR Study of the Fundamental Bands nu6, nu10, and nu11 of trans-Glyoxal. Journal of Molecular Spectroscopy, 211, 127-134.

Nielsen, U. G., Boisen, A., Brorson, M., Jacobsen, C. J. H., Jakobsen, H. J. & Skibsted, J. (2002). Aluminum Orthovanadate (AlVO4): Synthesis and Characterization by 27Al and 51V MAS and MQMAS NMR Spectroscopy. Inorganic Chemistry, 41, 6432-6439.

Baruah, M. & Bols, M. (2002). An Azido-Hanessian Reaction. SYNLETT: Accounts and Rapid Communications in Chemical Synthesis, 1111-1112.

Angus, P. M., Geue, R. J., Jensen, N. K. B., Larsen, F. K., Qin, C. J. & Sargeson, A. M. (2002). An unusual pendant-arm macrocycle formed by condensation of a cobalt(III) tripodal complex with methanal. Dalton Transactions , 4260-4263.

Mikkelsen, L. M., Krintel, S. L., Jimenez Barbero, J. & Skrydstrup, T. (2002). Application of the Anomeric Samarium Route for the Convergent Synthesis of the C-Linked Trisaccharide a-D-Man-(1-3)-[a-D-Man-(1-6)]-D-Man and the Disaccharides a-D-Man-(1-3)-D-Man anda-D-Man-(1-6)-D-Man. Journal of Organic Chemistry, 67, 6287-6298.

Andersen, L. K., Gao, Z., Ogilby, P. R., Poulsen, L. & Zebger, I. (2002). A Singlet Oxygen Image with 2.5 μm resolution. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106, 8488-8490.

Castelletto, V., Hamley, I. W. & Pedersen, J. S. (2002). A small-angle neutron scattering investigation of the structure of highly swollen block copolymer micelles. Journal of Chemical Physics, 117, 8124-8129.

Bergstrom, M., Kjellin, U. R. M., Claesson, P. M., Pedersen, J. S. & Nielsen, M. M. (2002). A small-angle X-ray scattering study of complexes formed in mixtures of a cationic polyelectrolyte and an anionic surfactant. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 106, 11412-11419.

Rapaport, H., Müller, G., Knobler, C. M., Jensen, T. R., Kjaer, K., Leiserowitz, L. & Tirrell, D. A. (2002). Assembly of triple-stranded b-sheet peptides at interfaces. Journal of the American Chemical Society, 124, 9342-9343.

Gothelf, K. V. & Jørgensen, K. A. (2002). Asymmetric Reactions. I Padwa & Pearson (red.), Applications of 1,3-Dipolar Cycloaddition Chemistry Towards Heterocycles and Natural Products (s. 144107-1-144107-18). Wiley.

Gothelf, K. V. & Larsen, A. G. (2002). Attachment of Alkyltrichlorosilanes to the Terminal 3,5-Dihydroxyphenyl Moiety of a Self-assembled Thiol Monolayer on Gold. Journal of Colloid and Interface Science, 225, 356-362.

Nielsen, U. G., Skibsted, J. & Jakobsen, H. J. (2002). Beta-VO2 - a V(IV) or mixed valence V(III)-V(V) oxide - studied by 51V MAS NMR spectroscopy. Chemical Physics Letters, 356, 73-78.

Hald, K. & Jørgensen, P. (2002). Calculation of first-order one-electron properties using the coupled-cluster approximate triples model CC3. Physical Chemistry Chemical Physics, 4, 5221-5226.

Hald, K., Jørgensen, P., Breckenridge, W. H. & Jaszunski, M. (2002). Calculation of ground and excited state potential energy curves of the MgAr complex using the coupled cluster approximate triples model CC3. Chemical Physics Letters, 364, 402-408.

Juhl, K. & Jørgensen, K. A. (2002). Catalytic Asymmetric alpha-Amination Reactions of 2-Keto Esters - A Simple Synthetic Approach to Optically Active Syn-beta-Amino-alpha-Hydroxy Esters. Journal of the American Chemical Society, 124, 2420-2421.

Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2002). Characterization of the alpha->beta phase transition in Friedels salt (Ca2Al(OH)6Cl.2H2O) by variable-temperature 27Al MAS NMR spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106, 6676-6682.

Steglich, F., Bentien, A., Baenitz, M., Carrillo-Cabrera, W., Grosche, F. M., Langhammer, C., Paschen, S., Sparn, G., Tran, V. H., Yuan, H. & Grin, Y. (2002). Chemical physics of metallic clathrates with low carrier concentration. Physica B: Condensed Matter, 318(1), 97 - 105. https://doi.org/10.1016/S0921-4526(02)00781-0

Zepik, H., Shavit, E., Tang, M., Jensen, T. R., Kjaer, K., Bolbach, G., Leiserowitz, L., Weissbuch, I. & Lahav, M. (2002). Chiral Amplification of Oligopeptides in Two-Dimensional Crystalline Self-Assemblies on Water. Kexue (Shanghai), 295, 1266-1269.

Andersen, L. H., Lapierre, A., Nielsen, S. B., Nielsen, I. B., Pedersen, S. U., Pedersen, U. V. & Tomita, S. (2002). Chromophores of the green fluorescent protein studied in the gas phase. The European Physical Journal D: Atomic, Molecular, Optical and Plasma Physics, 20, 597-600.

Untidt, T. S. & Nielsen, N. C. (2002). Closed solution to the Baker-Campbell-Hausdorff problem: exact effective Hamiltonian theory for analysis of nuclear-magnetic resonance experiments. Physical Review E, 65(2).

Mikkelsen, L. M., Hernaiz, M. J., Martin-Pastor, M., Skrydstrup, T. & Jimenez-Barbero, J. (2002). Conformation of Glycomimetics in the Free and Protein-Bound State: Structural and Binding Features of the C-glycosyl Analogue of the Core Trisaccharide alpha-D-Man-(1-3)-[alpha-D-Man-(1-6)]-D-Man. Journal of the American Chemical Society, 124, 14940-14951.

Christensen, C., Juhl, K., Hazell, R. G. & Jørgensen, K. A. (2002). Copper-Catalyzed Enantioselective Henry Reactions of alpha-Keto Esters: An Easy Entry to Optically Active beta-Nitro-alpha-hydroxy Esters and beta-Amino-alpha-hydroxy Esters. Journal of Organic Chemistry, 67, 4875-4881.

Sljivancanin, Z., Gothelf, K. V. & Hammer, B. (2002). Density Functional Theory Study of Enantiospecific Adsorption at Chiral Surfaces. Journal of the American Chemical Society, 124, 14789-14794.

Bøgevig, A., Kumaragurubaran, N. & Jørgensen, K. A. (2002). Direct Catalytic Asymmetric Aldol Reactions of Aldehydes. Chemical Communications, 6, 620-621.

Kumaragurubaran, N., Juhl, K., Zhuang, W., Bøgevig, A. & Jørgensen, K. A. (2002). Direct L-Proline Catalyzed Asymmetric alpha-Amination of Ketones. Journal of the American Chemical Society, 124, 6254-6255.

Bøgevig, A., Kumaragurubaran, N., Juhl, K., Zhuang, W. & Jørgensen, K. A. (2002). Direct Organo-Catalytic Asymmetric alpha-Amination of Aldehydes - A simple Approach to Optically Active alpha-Amino Aldehydes, alpha-Amino Alcohols, and alpha-Amino Acids. Angewandte Chemie International Edition, 41, 1790-1793.

Dam, N., Keszthelyi, T., Andersen, L. K., Mikkelsen, K. V. & Ogilby, P. R. (2002). Effect of Solvent on the O₂(a¹Δ_g) → O₂(b¹Σ_g⁺) Absorption Spectrum: Demonstrating the Importance of Equilibrium vs Nonequilibrium Solvation. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106, 5263-5270.

Nielsen, M., Larsen, N. B. & Gothelf, K. V. (2002). Electron Transfer Reactions of Self-Assembled Monolayers of Thio(Phenylacetylene)n-Substituted Chiral Metal-Salen Complexes. Langmuir, 18, 2795-2799.

Bols, M., Liang, X. & Jensen, H. H. (2002). Equatorial Contra Axial Polar Substituents. The Relation of a Chemical Reaction to Stereochemical Substituent Constants. Journal of Organic Chemistry, 67, 8970-8974.

Laursen, B., Denieul, M.-P. & Skrydstrup, T. (2002). Formal total synthesis of the PKC inhibitor, balanol: preparation of the fully protected benzophenone fragment. Tetrahedron, 58, 2231-2238.

Svaneborg, C. & Pedersen, J. S. (2002). Form factors of block copolymer micelles with excluded-volume interactions of the corona chains determined by Monte Carlo simulations. Macromolecules, 35, 1028-1037.

Zhuang, W. & Jørgensen, K. A. (2002). Friedel-Crafts Reactions in Water of Carbonyl Compounds with Heteroaromatic Compounds. Chemical Communications, 6, 1336-1337.

Britz, D., Østerby, O., Strutwolf, J. & Svennesen, T. K. (2002). High-order spatial discretisations in electrochemical digital simulations. 3. Combination with the Runge-Kutta algorithm. Computers & Chemistry, 26, 97-103.

Jakobsen, J. M., Madsen, G. K. H., Jørgensen, J.-E., Staun Olsen, J. & Gerward, L. (2002). High pressur behaviour of TbN: an X-ray diffraction and computational study. Solid State Communications, 121, 447-452.

Nissen, S., Hegelund, F., Johnson, M. S. & Nelander, B. (2002). High-Resolution Infrared Study of the nu11 Band of Allene. Journal of Molecular Spectroscopy, 216, 197-202.

Overgaard, J., Iversen, B. B., Palii, S., Timco, G. A., Gerbeleu, N. V. & Larsen, F. K. (2002). Host-Guest Chemistry of the Chromium-Wheel Complex [Cr8F8(tBuCO2)16]: Prediction of Inclusion Capabilities by Using an Electrostatic Potential Distribution Determined by Modeling Synchrotron X-ray StructureFact. Chemistry - A European Journal, 8, 2775-2786.

Hensel, V., Godt, A., Popovitz-Biro, R., Cohen, H., Jensen, T. R., Kjaer, K., Weissbuch, I., Lifshitz, E. & Lahav, M. (2002). Hybrid Composites of monodisperse p-conjugated Rod-like organic compounds and semiconductor Quantum Particles. Chemistry - A European Journal, 8, 1413-1423.

Jensen, T. R., Hazell, R. G., Christensen, A. N. & Hanson, J. C. (2002). Hydrothermal Synthesis of Lithium Zinc Phosphates: Structural Investigation of Twinned alpha-Li4Zn(PO4)2 and a High Temperature Polymorph beta-Li4Zn(PO4)2. Journal of Solid State Chemistry, 166, 341-351.

Taasti, K. I., Christensen, A. N., Norby, P., Hanson, J. C., Lebech, B., Jakobsen, H. J. & Skibsted, J. (2002). Hydrothermal synthesis, single-crystal structure analysis, and solid-state NMR characterization of Zn2(OH)0.14(3)F0.86(3)(PO4). Journal of Solid State Chemistry, 164, 42-50.

Skovsen, E., Machholm, M., Ejdrup, T., Thøgersen, J. & Stapelfeldt, H. (2002). Imaging and control of interfering wavepackets in a dissociating molecule. Physical Review Letters, 89.

Hald, K., Jørgensen, P., Christiansen, O. & Koch, H. (2002). Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections. Journal of Chemical Physics, 116, 5963-5970.

Pedersen, J. S., Lindner, P. (red.) & Zemb, T. (red.) (2002). Instrumentation for Small-Angle X-ray and Neutron Scattering and Instrumental Smearing Effects. I Neutrons, X-Rays and Light (s. 127-144). Elsevier.

Muldgaard, L., Thomsen, I. B., R.G., H. & Bols, M. (2002). Investigation of the Base promoted Tandem syn elimination-Favorskii rearrangement of Levoglucosane Sulfonates. Journal of the Chemical Society, Perkin Transactions 1, 1297-1301.

Poulsen, T. D., Ogilby, P. R. & Mikkelsen, K. V. (2002). Linear Response Properties for Solvated Molecules Described by a Combined Multiconfigurational Self-Consistent Field/Molecular Mechanics Model. Journal of Chemical Physics, 116, 3730-3738.

Ronne, C. & Keiding, S. R. (2002). Low frequency spectroscopy of liquid water using THz-time domain spectroscopy. Journal of Molecular Liquids, 101, 199-218.

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Institut for Kemi