Publikationer

Følg med i de senest publicerede videnskabelige artikler fra Institut for Biologi. Oversigten viser Instituttets publikationer med de nyeste øverst:

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Ruden, T. A., Helgaker, T., Jørgensen, P. & Olsen, J. (2003). Coupled-cluster connected-quadruples corrections to atomization energies. Chemical Physics Letters, 371, 62-67.

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.

Rønne, C., Nymand, T. & Keiding, S. R. (2001). The temperature dependent dielectric function of liquid benzene. Interpretation of THz spectroscopy data by molecular dynamics simulation. Journal of Chemical Physics, 114, 5246-5255.

Saaby, S., Bayon, P., Aburel, P. S. & Jørgensen, K. A. (2002). Optically Active Aromatic and Heteroaromatic alpha-Amino Acids by a One-Pot Catalytic Enantioselective Addition of Aromatic and Heteroaromatic C-H Bonds to alpha-Imino Esters. Journal of Organic Chemistry, 67, 4352-4361.

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.

Saaby, S., Nakama, K., Lie, M. A., Hazell, R. G. & Jørgensen, K. A. (2003). The First Catalytic Highly Enantioselective Alkylation of Ketimines - A Novel Approach to Optically Active Quaternary alpha-Amino Acids. Chemistry - A European Journal, 9, 6145-6154.

Sakai, H., Larsen, J. J., Wendt-Larsen, I., Olesen, J., Corkum, P. B. & Stapelfeldt, H. (2003). Nonsequential double ionization of D2 molecules with intense 20 fs pulses. Physical Review A, 67.

Sancho-García, J. C., Brédas, J. L., Beljonne, D., Cornil, J., Martínez-Álvarez, R., Hanack, M., Poulsen, L., Gierschner, J., Mack, H.-G., Egelhaaf, H.-J. & Oelkrug, D. (2005). Design of pi-Conjugated Organic Materials for One-Dimensional Energy Transport in Nanochannels. Journal of Physical Chemistry B, 109, 48-72.

Sattelmeyer, K. W., Stanton, J. F., Olsen, J. & Gauss, J. (2001). A comparison of excited state properties for iterative approximate triples linear response coupled cluster methods. Chem. Phys. Letters, 347, 499-504.

Schiøtt, B. (2004). On the Possible Involvement of Collective Domain Movement in the Catalytic Reaction of Soluble Epoxide Hydrolase. Int. J. Qantum. Chem., 99.

Schiøtt, B. (2004). The Influence of Solvation on the Asp-His Interaction in Subtilisins. Insights from a Density Functional Theory Study. Chemical Communications, 498-499.

Schiøtt, B. & Bruice, T. C. (2002). Reaction Mechanism of Soluble Epoxide Hydrolase: Insights from Molecular Dynamics Simulations. Journal of the American Chemical Society, 124, 14558-14570.

Schiøtt, B., Overgaard, J., Larsen, F. K. & Iversen, B. B. (2004). Testing Theory Beyond Molecular Structure: Electron Density Distributions of Complex Molecules. Int. J. Qantum. Chem., 96.

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.

Siminovitch, D., Untidt, T. S. & Nielsen, N. C. (2004). Exact effective Hamiltonian theory. II: Expansion of matrix functions and entangled unitary exponential operators. Journal of Chemical Physics, 120, 51-66.

Sivertsen, A. C., Bjerring, M., Kehlet, C. T., Vosegaard, T. & Nielsen, N. C. (2005). Numerical Simulations in Biological Solid-State NMR Spectroscopy. Annual Reports on NMR Spectroscopy, 54, 243-293.

Skibsted, J., Hall, C. & Jakobsen, H. J. (2002). Nuclear magnetic resonance spectroscopy and magnetic resonance imaging of cements and cement-based materials. I J. Bensted & P. B. (red.), Structure and Performance of Cements (2. udg., s. 457-476). Spon press.

Skibsted, J., Rasmussen, S., Herfort, D. & Jakobsen, H. J. (2003). 29Si cross-polarization magic-angle spinning NMR spectroscopy - an efficient tool for quantification of thaumasite in cement-based materials. Cement and Concrete Composites, 25, 823-829. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWF-4979J9S-6-1X&_cdi=5561&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999749991&view=c&wc hp=dGLbVzz-zSkWz&_acct=C000034578&_version=1&_userid=642076&md5=71df6a362168e2cc4a3ae3d9a8c7702b&ie=f.pdf

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.

Skrydstrup, T. (2003). Application of Samarium Diiodide in the Reals of Carbohydrates and Peptides. Afhandling præsenteret på 5th International Conference on F-Elements, Geneve, Schweiz.

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

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.

Snyder, G. J., Christensen, M., Nishibori, E., Caillat, T. & Iversen, B. B. (2004). Disordered zinc Zn₄Sb₃ with phonon-glass and electron-crystal thermoelectric properties. Nature Materials, 3, 458-463.

Snyder, J. W., Gao, Z. & Ogilby, P. R. (2005). Application of a dithered sampling technique to increase the spatial resolution of singlet oxygen images. Review of Scientific Instruments, 76(1), 13701-13701.

Snyder, J. W., Zebger, I., Gao, Z., Poulsen, L., Frederiksen, P. K., Skovsen, E., McIlroy, S. P., Klinger, M., Andersen, L. K. & Ogilby, P. R. (2004). Singlet Oxygen Microscope: From Phase-Separated Polymers to Single Biological Cells. Accounts of Chemical Research, 37, 894-901.

Sommer, C. & Pedersen, J. S. (2004). Temperature dependence of the structure and interaction of starlike PEG-based block copolymer micelles. Macromolecules, 37(5), 1682-1685.

Sommer, C., Pedersen, J. S., Egelhaaf, S. U., Cannavacciuolo, L., Kohlbrecher, J. & Schurtenberger, P. (2002). Wormlike micelles as "equilibrium polyelectrolytes": Light and neutron scattering experiments. Langmuir, 18, 2495-2505.

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.

Stapelfeldt, H. (2003). Alignment of molecules by strong laser pulses. The European Physical Journal D: Atomic, Molecular, Optical and Plasma Physics, 26, 15-19.

Stapelfeldt, H. (2004). Electrons frozen in motion. Nature, 432, 809-810.

Stapelfeldt, H. & Seideman, T. (2003). Aligning Molecules with Strong Laser Pulses. Rev. Mod. Phys., 75, 543-557.

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.

Stieger, M., Richtering, W., Pedersen, J. S. & Lindner, P. (2004). Small-angle neutron scattering study of structural changes in temperature sensitive microgel colloids. Journal of Chemical Physics, 120(13), 6197-6206.

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 Co_1-xNi_x(Sb_1-yTe_y)₃ skutterudites: Theoretical modeling, synthesis and thermoelectric properties. Journal of Applied Physics, 97, 044317-1-044317-7.

Strutwolf, J. & Britz, D. (2001). Use of high-order spatial discretisations in electrochemical digital simulations. 2. Combination with the extrapolation algorithm. Computers & Chemistry, 25, 511.

Stutwolf, J. & Britz, D. (2004). Higher-order spatial discretisations in electrochemical digital simulations. Part 5: Application to stationary ultramicrodisc electrode simulation. Journal of Electroanalytical Chemistry, 566, 15-23.

Svaneborg, C. & Pedersen, J. S. (2001). Block copolymer micelle coronas as quasi-two-dimensional dilute or semidilute polymer solutions. Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys., 64, 10802-10802. https://doi.org/10.1103/PhysRevE.64.010802

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.

Svaneborg, C. & Pedersen, J. S. (2004). Monte Carlo simulations and analysis of scattering from neutral and polyelectrolyte polymer and polymer-like systems. Current Opinion in Colloid & Interface Science, 8(6), 507-514. https://doi.org/10.1016/j.cocis.2004.01.001

Svith, H., Jensen, H., Almstedt, J., Andersson, P., Lundbäck, T., Daasbjerg, K. & Jonsson, M. (2004). On the Nature of Solvent Effects on Redox Properties. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 108, 4805-4811.

Symietz, C., Brezesinski, B., Kjaer, K., Jensen, T. R., Möhwald, H., Materlik, G. (red.) & al., E. (red.) (2001). Structure formation in DNA/cationic lipid complexes at the air/water interface. (421 udg.) (s. 044317-1 - 044317-7).

Szalay, P. G., Thøgersen, L. S., Olsen, J., Kállay, M. & Gauss, J. (2004). Equilibrium Geometry of the Ethynyl (CCH) Radical. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 108, 3030-3034.

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

Søndergaard, K., Liang, X. & Bols, M. (2001). Synthesis of 5-Azacastanospermine, a conformationally restricted azafagomine analogue. Chemistry - A European Journal, 7, 2324-2331.

Sørensen, H., Larsen, J., Rasmussen, B. S., Laursen, B., Hansen, S. G., Skrydstrup, T., Amatore, C. & Jutand, A. (2002). Synthesis and Investigation of New Macrocyclic Diphosphine-Palladium(0) Complexes Based on the Barbiturate Binding Receptor. Organometallics, 21, 5243-5253.

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

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.

Thøgersen, J., Jensen, S. K., Christiansen, O. & Keiding, S. R. (2004). Fast photodynamics of aqueous formic acid. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 37(108), 7483-7489.

Thogersen, J., Madsen, E. S. Y., Holmegaard, L., Knak Jensen, S., Keiding, S. R., Matsuura, Y. & Miyagi, M. (2005). Characterization of Ultraviolet Femtosecond Pulse Propagation in Aluminum Coated Capillary Fibers. Journal of Applied Physics, 98, 33519-1 - 33519-5.

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.

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