Publikationer

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Publikationer fra Institut for Kemi

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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.

Laursen, J., Vestergaard, B. T., Pind, N., Karlsen, K. & Hansen, H. C. B. (2001). Rapid method for EDXRF analysis of clayey and sandy soil. X-Ray Spectrometry, 30, 186-189.

Nielsen, U. G., Skibsted, J. & Jakobsen, H. J. (2001). Resolving multiple ²⁷Al sites in AlVO₄ by ²⁷Al MAS NMR spectroscopy at 21.15 Tesla. Chemical Communications, 2690-2691.

Gambi, A., Stoppa, P., Baldacci, A. & Hegelund, F. (2001). Rovibrational Analysis of the _2 Band of Diazirine-d2. J. Mol. Spectrosc., 205, 86-91.

Buller, R., Cohen, H., Jensen, T. R., Kjaer, K., Lahav, M. & Leiserowitz, L. (2001). Self-Assembly of Bolaamphiphiles Forming Alternating Layer Arrangements with Lead and Copper Divalent Ions. Phys. Chem., B105, 11447-11455.

Alonso, C., Kuzmenko, I., Jensen, T. R., Kjaer, K., Lahav, M. & Leiserowitz, L. (2001). Self-Assembly of Crystalline Films of Interdigitated Long-Chain Cholesteryl Esters at the Air-Water Interface. J. Phys. Chem., B105, 8563-8568.

Bülow, A., Plesner, I. & Bols, M. (2001). Slow inhibition of almond α-glucosidase of azasugars: determination of activation energies for slow binding. Biochem. Biophys. Acta., 1545, 207-215.

Duelund, L., Hazell, R., McKenzie, C. J., Preuss Nielsen, L. & Toftlund, H. (2001). Solid and solution state structures of mono- and di-nuclear iron(III) complexes of related hexadentate and pentadentate aminopyridyl ligands. Dalton Transactions , 152-156.

Fyfe, C. A., Skibsted, J. & Schwieger, W. (2001). Solid-State NMR Characterization of the Mineral Searlesite and its Detection in Complex Synthesis Mixtures. Inorganic Chemistry, 40, 5906-5912.

Jensen, T. R. & Kjær, K. (2001). Structural Properties and Interactions of Thin Films at the Air-Liquid Interface Explored by Synchrotron X-ray Scattering. I M. D. & M. R. (red.), Studies in Interface Science: Novel Methods to Study Interfacial Layers (Bind 11, s. 205-254). Elsevier Science Publ..

Pedersen, J. S. (2001). Structure factors effects in small-angle scattering from block copolymer micelles and star polymers. Journal of Chemical Physics, 114, 2839-2846.

Blakskjær, P., Pedersen, L. & Skrydstrup, T. (2001). Studies on the C-alkylation and C-allylation of small peptides employing glycyl radical intermediates. J. Chem. Soc. Perkin 1, 910-915.

Nørlund Christensen, A., Bareges, A., Birkedal Nielsen, R., Hazell, R. G., Norby, P. & Hanson, J. C. (2001). Study of formation of cobalt and zinc phosphates in solvothermal synthesis using piperazine and 2-methylpiperazine as templating molecules. Structure investigations of[C4H8N2H4)(Co0.44(1)Zn0.56(1))2-(PO4)(H1.5PO4)2] and of [C5N2H14)(Co0.25(3)Zn0.75(3))(HPO4)2]. Dalton Transactions , 1611-1615.

Odgaard, L., Bak, M., Jakobsen, H. J. & Nielsen, N. C. (2001). ¹³C chemical shift and ¹³C-¹⁴N dipolar coupling tensors determined by ¹³C rotary resonance NMR. Journal of Magnetic Resonance, 148, 298-308.

Nielsen, M. & Gothelf, K. V. (2001). Synthesis and Catalytic Properties of p-Acylthio-(phenylacetylene)n Substituted Chiral Manganese Salen Complexes. J. Chem. Soc., Perkin Trans. 1.

Jørgensen, J.-E. & Markvardsen, A. J. (2001). Synthesis and neutron powder diffraction study of Tb2-xBa2+xCu2+yTi2-yO11. Physica B: Condensed Matter, C349, 25-29.

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

Andreassen, V., Svensson, B. & Bols, M. (2001). Synthesis of a 1-azasugar analog of maltose. Synthesis, 339-342.

Jensen, H. H. & Bols, M. (2001). Synthesis of D-galacto-1-azafagomine, a potent galactosidase inhibitor. J. Chem. Soc. Perkin 1, 905-909.

Becher, J., Brimert, T., Jeppesen, J. O., Pedersen, J. Z., Zubarev, R., Bjørnholm, T., Reitzel, N., Jensen, T. R., Kjaer, K. & Levillain, E. (2001). Tetrathiafulvaleno-Annelated Prophyrins. Angewandte Chemie International Edition, 40(13), 2497-2500.

Bak, K. L., Gauss, J., Jørgensen, P., Olsen, J., Helgaker, T. & Stanton, J. F. (2001). The Accurate Determination of Molecular Equlibrium Structures. Journal of Chemical Physics, 114, 6548-6556.

Overgaard, J., Schiøtt, B., Larsen, F. K. & Iversen, B. B. (2001). The Charge Density Distribution in a Model Compound of the Catalytic Triad in Serine Proteases. Chemistry - A European Journal, 17, 3756-3767.

Poulsen, T. D., Kongsted, J., Osted, A., Ogilby, P. R. & Mikkelsen, K. V. (2001). The Combined Multiconfigurational Self-Consistent-Field/Molecular Mechanics Wave Function Approach. Journal of Chemical Physics, 115, 2393-2400.

Knudsen, K. R., Risgaard, T., Nishiwaki, N., Gothelf, K. V. & Jørgensen, K. A. (2001). The First Catalytic Asymmetric Aza-Henry Reaction of Nitronates with Imines - A Novel Approach to Optically Active β-Nitro-α-Amino Acid- and α,β-Diamino Acid Derivatives. Journal of the American Chemical Society, 123.

Fleig, T., Olsen, J. & Marian, C. M. (2001). The generalized active space concept for the relativistic treatment ofelectron correlation. I. Kramers-restricted two-component configuration interaction. J. Chem. Phys. B.

Liu, H., Liang, X., Søhoel, H., Bülow, A. & Bols, M. (2001). The Noeuromycin, A Glycosyl Cation Mimic that Strongly Inhibit Glycosidases. Journal of the American Chemical Society, 123, 5116-5117.

Jørgensen, K. A., Kobayashi, S. (red.) & Jørgensen, K. A. (red.) (2001). Theoretical Calculations of Metal-catalyzed Cycloaddition Reactions. I In Metal-catalyzed Cycloaddition Reactions (s. Advance article)

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Institut for Kemi